3-acetamido-N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propanamide;[4-(3-aminoanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-phenylmethanone;N-[3-[(5-benzoyl-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(dimethylamino)acetamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-(dimethylamino)butanamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-oxopentanamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-pyridin-3-ylpropanamide

C164H147N39O15 — CID 161489374

About 3-acetamido-N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propanamide;[4-(3-aminoanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-phenylmethanone;N-[3-[(5-benzoyl-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(dimethylamino)acetamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-(dimethylamino)butanamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-oxopentanamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-pyridin-3-ylpropanamide

3-acetamido-N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propanamide;[4-(3-aminoanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-phenylmethanone;N-[3-[(5-benzoyl-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(dimethylamino)acetamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-(dimethylamino)butanamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-oxopentanamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-pyridin-3-ylpropanamide (PubChem CID 161489374) has the molecular formula C164H147N39O15 and a molecular weight of 2904.24 g/mol. Its IUPAC name is 3-acetamido-N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propanamide;[4-(3-aminoanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-phenylmethanone;N-[3-[(5-benzoyl-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(dimethylamino)acetamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-(dimethylamino)butanamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-oxopentanamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-pyridin-3-ylpropanamide.

Molecular Properties

• Compound Name: 3-acetamido-N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propanamide;[4-(3-aminoanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-phenylmethanone;N-[3-[(5-benzoyl-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(dimethylamino)acetamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-(dimethylamino)butanamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-oxopentanamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-pyridin-3-ylpropanamide
• PubChem CID: 161489374
• Molecular Formula: C164H147N39O15
• Molecular Weight: 2904.24 g/mol
• Exact Mass: 2902.19
• IUPAC Name: 3-acetamido-N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propanamide;[4-(3-aminoanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-phenylmethanone;N-[3-[(5-benzoyl-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(dimethylamino)acetamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-(dimethylamino)butanamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-oxopentanamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-pyridin-3-ylpropanamide
• SMILES: CC(=O)CCC(=O)Nc1cccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)c1.CC(=O)NCCC(=O)Nc1cccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)c1.CC(=O)Nc1cccc(Nc2ncnc3c2c(C(=O)c2ccccc2)cn3C)c1.CN(C)CC(=O)Nc1cccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)c1.CN(C)CCCC(=O)Nc1cccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)c1.Nc1cccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)c1.O=C(CCc1cccnc1)Nc1cccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)c1
• InChI: InChI=1S/C27H22N6O2.C25H26N6O2.C24H22N6O3.C24H21N5O3.C23H22N6O2.C22H19N5O2.C19H15N5O/c34-23(12-11-18-6-5-13-28-15-18)32-20-9-4-10-21(14-20)33-27-24-22(16-29-26(24)30-17-31-27)25(35)19-7-2-1-3-8-19;1-31(2)13-7-12-21(32)29-18-10-6-11-19(14-18)30-25-22-20(15-26-24(22)27-16-28-25)23(33)17-8-4-3-5-9-17;1-15(31)25-11-10-20(32)29-17-8-5-9-18(12-17)30-24-21-19(13-26-23(21)27-14-28-24)22(33)16-6-3-2-4-7-16;1-15(30)10-11-20(31)28-17-8-5-9-18(12-17)29-24-21-19(13-25-23(21)26-14-27-24)22(32)16-6-3-2-4-7-16;1-29(2)13-19(30)27-16-9-6-10-17(11-16)28-23-20-18(12-24-22(20)25-14-26-23)21(31)15-7-4-3-5-8-15;1-14(28)25-16-9-6-10-17(11-16)26-21-19-18(12-27(2)22(19)24-13-23-21)20(29)15-7-4-3-5-8-15;20-13-7-4-8-14(9-13)24-19-16-15(10-21-18(16)22-11-23-19)17(25)12-5-2-1-3-6-12/h1-10,13-17H,11-12H2,(H,32,34)(H2,29,30,31,33);3-6,8-11,14-16H,7,12-13H2,1-2H3,(H,29,32)(H2,26,27,28,30);2-9,12-14H,10-11H2,1H3,(H,25,31)(H,29,32)(H2,26,27,28,30);2-9,12-14H,10-11H2,1H3,(H,28,31)(H2,25,26,27,29);3-12,14H,13H2,1-2H3,(H,27,30)(H2,24,25,26,28);3-13H,1-2H3,(H,25,28)(H,23,24,26);1-11H,20H2,(H2,21,22,23,24)
• InChIKey: WFKBFIKXMQQOIY-UHFFFAOYSA-N
• XLogP: 27.60
• TPSA: 749.99 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 41
• Rotatable Bonds: 49
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2904.24
LogP ≤ 5	27.60
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propanamide;[4-(3-aminoanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-phenylmethanone;N-[3-[(5-benzoyl-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(dimethylamino)acetamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-(dimethylamino)butanamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-oxopentanamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-pyridin-3-ylpropanamide?

The IUPAC name of 3-acetamido-N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propanamide;[4-(3-aminoanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-phenylmethanone;N-[3-[(5-benzoyl-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(dimethylamino)acetamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-(dimethylamino)butanamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-oxopentanamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-pyridin-3-ylpropanamide (CID 161489374) is 3-acetamido-N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propanamide;[4-(3-aminoanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-phenylmethanone;N-[3-[(5-benzoyl-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(dimethylamino)acetamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-(dimethylamino)butanamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-oxopentanamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-pyridin-3-ylpropanamide.

What is the SMILES notation for 3-acetamido-N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propanamide;[4-(3-aminoanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-phenylmethanone;N-[3-[(5-benzoyl-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(dimethylamino)acetamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-(dimethylamino)butanamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-oxopentanamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-pyridin-3-ylpropanamide?

The canonical SMILES for 3-acetamido-N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propanamide;[4-(3-aminoanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-phenylmethanone;N-[3-[(5-benzoyl-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(dimethylamino)acetamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-(dimethylamino)butanamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-oxopentanamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-pyridin-3-ylpropanamide is CC(=O)CCC(=O)Nc1cccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)c1.CC(=O)NCCC(=O)Nc1cccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)c1.CC(=O)Nc1cccc(Nc2ncnc3c2c(C(=O)c2ccccc2)cn3C)c1.CN(C)CC(=O)Nc1cccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)c1.CN(C)CCCC(=O)Nc1cccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)c1.Nc1cccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)c1.O=C(CCc1cccnc1)Nc1cccc(Nc2ncnc3[nH]cc(C(=O)c4ccccc4)c23)c1.

What is the InChIKey of 3-acetamido-N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propanamide;[4-(3-aminoanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-phenylmethanone;N-[3-[(5-benzoyl-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(dimethylamino)acetamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-(dimethylamino)butanamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-oxopentanamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-pyridin-3-ylpropanamide?

The InChIKey is WFKBFIKXMQQOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N6O2.C25H26N6O2.C24H22N6O3.C24H21N5O3.C23H22N6O2.C22H19N5O2.C19H15N5O/c34-23(12-11-18-6-5-13-28-15-18)32-20-9-4-10-21(14-20)33-27-24-22(16-29-26(24)30-17-31-27)25(35)19-7-2-1-3-8-19;1-31(2)13-7-12-21(32)29-18-10-6-11-19(14-18)30-25-22-20(15-26-24(22)27-16-28-25)23(33)17-8-4-3-5-9-17;1-15(31)25-11-10-20(32)29-17-8-5-9-18(12-17)30-24-21-19(13-26-23(21)27-14-28-24)22(33)16-6-3-2-4-7-16;1-15(30)10-11-20(31)28-17-8-5-9-18(12-17)29-24-21-19(13-25-23(21)26-14-27-24)22(32)16-6-3-2-4-7-16;1-29(2)13-19(30)27-16-9-6-10-17(11-16)28-23-20-18(12-24-22(20)25-14-26-23)21(31)15-7-4-3-5-8-15;1-14(28)25-16-9-6-10-17(11-16)26-21-19-18(12-27(2)22(19)24-13-23-21)20(29)15-7-4-3-5-8-15;20-13-7-4-8-14(9-13)24-19-16-15(10-21-18(16)22-11-23-19)17(25)12-5-2-1-3-6-12/h1-10,13-17H,11-12H2,(H,32,34)(H2,29,30,31,33);3-6,8-11,14-16H,7,12-13H2,1-2H3,(H,29,32)(H2,26,27,28,30);2-9,12-14H,10-11H2,1H3,(H,25,31)(H,29,32)(H2,26,27,28,30);2-9,12-14H,10-11H2,1H3,(H,28,31)(H2,25,26,27,29);3-12,14H,13H2,1-2H3,(H,27,30)(H2,24,25,26,28);3-13H,1-2H3,(H,25,28)(H,23,24,26);1-11H,20H2,(H2,21,22,23,24).

What are the key properties of 3-acetamido-N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propanamide;[4-(3-aminoanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-phenylmethanone;N-[3-[(5-benzoyl-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(dimethylamino)acetamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-(dimethylamino)butanamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-oxopentanamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-pyridin-3-ylpropanamide?

3-acetamido-N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propanamide;[4-(3-aminoanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-phenylmethanone;N-[3-[(5-benzoyl-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(dimethylamino)acetamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-(dimethylamino)butanamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-oxopentanamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-pyridin-3-ylpropanamide has a molecular weight of 2904.24 g/mol, XLogP of 27.60, 49 rotatable bonds, 21 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 3-acetamido-N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propanamide;[4-(3-aminoanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-phenylmethanone;N-[3-[(5-benzoyl-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-2-(dimethylamino)acetamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-(dimethylamino)butanamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-oxopentanamide;N-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 161489374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).