N-(2-anilinoethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;5-chloro-N-(2-phenoxyethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-(2-phenoxyethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide

C106H106Cl2N22O12 — CID 160875373

IUPACN-(2-anilinoethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;5-chloro-N-(2-phenoxyethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-(2-phenoxyethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
SMILESCN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2nc(Cl)ccc2[nH]1.CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2ncccc2[nH]1.COc1ccc2[nH]c(C(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)C)cc2n1.O=C(NCCNc1ccccc1)c1cc2ncccc2[nH]1.O=C(NCCOc1ccccc1)c1cc2nc(Cl)ccc2[nH]1.O=C(NCCOc1ccccc1)c1cc2ncccc2[nH]1
InChIInChI=1S/C20H22N4O3.C19H19ClN4O2.C19H20N4O2.C16H14ClN3O2.C16H16N4O.C16H15N3O2/c1-24(2)20(26)17(11-13-7-5-4-6-8-13)23-19(25)16-12-15-14(21-16)9-10-18(22-15)27-3;1-24(2)19(26)16(10-12-6-4-3-5-7-12)23-18(25)15-11-14-13(21-15)8-9-17(20)22-14;1-23(2)19(25)17(11-13-7-4-3-5-8-13)22-18(24)16-12-15-14(21-16)9-6-10-20-15;17-15-7-6-12-13(20-15)10-14(19-12)16(21)18-8-9-22-11-4-2-1-3-5-11;21-16(15-11-14-13(20-15)7-4-8-18-14)19-10-9-17-12-5-2-1-3-6-12;20-16(15-11-14-13(19-15)7-4-8-17-14)18-9-10-21-12-5-2-1-3-6-12/h4-10,12,17,21H,11H2,1-3H3,(H,23,25);3-9,11,16,21H,10H2,1-2H3,(H,23,25);3-10,12,17,21H,11H2,1-2H3,(H,22,24);1-7,10,19H,8-9H2,(H,18,21);1-8,11,17,20H,9-10H2,(H,19,21);1-8,11,19H,9-10H2,(H,18,20)/t17-;16-;17-;;;/m000.../s1
InChIKeySMHZLSUXDBBRHF-LJYOERAXSA-N
MW1951.06 g/mol
LogP14.44
Rot. Bonds31

About N-(2-anilinoethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;5-chloro-N-(2-phenoxyethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-(2-phenoxyethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide

N-(2-anilinoethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;5-chloro-N-(2-phenoxyethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-(2-phenoxyethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide (PubChem CID 160875373) has the molecular formula C106H106Cl2N22O12 and a molecular weight of 1951.06 g/mol. Its IUPAC name is N-(2-anilinoethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;5-chloro-N-(2-phenoxyethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-(2-phenoxyethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-anilinoethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;5-chloro-N-(2-phenoxyethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-(2-phenoxyethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
PubChem CID160875373
Molecular FormulaC106H106Cl2N22O12
Molecular Weight1951.06 g/mol
Exact Mass1948.77
IUPAC NameN-(2-anilinoethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;5-chloro-N-(2-phenoxyethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-(2-phenoxyethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
SMILESCN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2nc(Cl)ccc2[nH]1.CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2ncccc2[nH]1.COc1ccc2[nH]c(C(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)C)cc2n1.O=C(NCCNc1ccccc1)c1cc2ncccc2[nH]1.O=C(NCCOc1ccccc1)c1cc2nc(Cl)ccc2[nH]1.O=C(NCCOc1ccccc1)c1cc2ncccc2[nH]1
InChIInChI=1S/C20H22N4O3.C19H19ClN4O2.C19H20N4O2.C16H14ClN3O2.C16H16N4O.C16H15N3O2/c1-24(2)20(26)17(11-13-7-5-4-6-8-13)23-19(25)16-12-15-14(21-16)9-10-18(22-15)27-3;1-24(2)19(26)16(10-12-6-4-3-5-7-12)23-18(25)15-11-14-13(21-15)8-9-17(20)22-14;1-23(2)19(25)17(11-13-7-4-3-5-8-13)22-18(24)16-12-15-14(21-16)9-6-10-20-15;17-15-7-6-12-13(20-15)10-14(19-12)16(21)18-8-9-22-11-4-2-1-3-5-11;21-16(15-11-14-13(20-15)7-4-8-18-14)19-10-9-17-12-5-2-1-3-6-12;20-16(15-11-14-13(19-15)7-4-8-17-14)18-9-10-21-12-5-2-1-3-6-12/h4-10,12,17,21H,11H2,1-3H3,(H,23,25);3-9,11,16,21H,10H2,1-2H3,(H,23,25);3-10,12,17,21H,11H2,1-2H3,(H,22,24);1-7,10,19H,8-9H2,(H,18,21);1-8,11,17,20H,9-10H2,(H,19,21);1-8,11,19H,9-10H2,(H,18,20)/t17-;16-;17-;;;/m000.../s1
InChIKeySMHZLSUXDBBRHF-LJYOERAXSA-N
XLogP14.44
TPSA447.33 Ų
H-Bond Donors13
H-Bond Acceptors19
Rotatable Bonds31
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001951.06
LogP ≤ 514.44
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-anilinoethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;5-chloro-N-(2-phenoxyethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-(2-phenoxyethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-anilinoethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;5-chloro-N-(2-phenoxyethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-(2-phenoxyethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide?
The IUPAC name of N-(2-anilinoethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;5-chloro-N-(2-phenoxyethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-(2-phenoxyethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide (CID 160875373) is N-(2-anilinoethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;5-chloro-N-(2-phenoxyethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-(2-phenoxyethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-anilinoethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;5-chloro-N-(2-phenoxyethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-(2-phenoxyethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for N-(2-anilinoethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;5-chloro-N-(2-phenoxyethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-(2-phenoxyethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide is CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2nc(Cl)ccc2[nH]1.CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2ncccc2[nH]1.COc1ccc2[nH]c(C(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)C)cc2n1.O=C(NCCNc1ccccc1)c1cc2ncccc2[nH]1.O=C(NCCOc1ccccc1)c1cc2nc(Cl)ccc2[nH]1.O=C(NCCOc1ccccc1)c1cc2ncccc2[nH]1.
What is the InChIKey of N-(2-anilinoethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;5-chloro-N-(2-phenoxyethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-(2-phenoxyethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide?
The InChIKey is SMHZLSUXDBBRHF-LJYOERAXSA-N. The full InChI is InChI=1S/C20H22N4O3.C19H19ClN4O2.C19H20N4O2.C16H14ClN3O2.C16H16N4O.C16H15N3O2/c1-24(2)20(26)17(11-13-7-5-4-6-8-13)23-19(25)16-12-15-14(21-16)9-10-18(22-15)27-3;1-24(2)19(26)16(10-12-6-4-3-5-7-12)23-18(25)15-11-14-13(21-15)8-9-17(20)22-14;1-23(2)19(25)17(11-13-7-4-3-5-8-13)22-18(24)16-12-15-14(21-16)9-6-10-20-15;17-15-7-6-12-13(20-15)10-14(19-12)16(21)18-8-9-22-11-4-2-1-3-5-11;21-16(15-11-14-13(20-15)7-4-8-18-14)19-10-9-17-12-5-2-1-3-6-12;20-16(15-11-14-13(19-15)7-4-8-17-14)18-9-10-21-12-5-2-1-3-6-12/h4-10,12,17,21H,11H2,1-3H3,(H,23,25);3-9,11,16,21H,10H2,1-2H3,(H,23,25);3-10,12,17,21H,11H2,1-2H3,(H,22,24);1-7,10,19H,8-9H2,(H,18,21);1-8,11,17,20H,9-10H2,(H,19,21);1-8,11,19H,9-10H2,(H,18,20)/t17-;16-;17-;;;/m000.../s1.
What are the key properties of N-(2-anilinoethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;5-chloro-N-(2-phenoxyethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-(2-phenoxyethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide?
N-(2-anilinoethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;5-chloro-N-(2-phenoxyethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-(2-phenoxyethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide has a molecular weight of 1951.06 g/mol, XLogP of 14.44, 31 rotatable bonds, 13 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilinoethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;5-chloro-N-(2-phenoxyethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide;N-(2-phenoxyethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 160875373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).