4-acetyl-6-chloropyridine-3-carboxylic acid;N-(4-amino-2-pyridinyl)cyclopropanecarboxamide;methyl 4-acetyl-6-chloropyridine-3-carboxylate;methyl 4-acetyl-6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]methyl]pyridine-3-carboxylate;bis(N-[4-[(1-methyl-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl)methyl]-2-pyridinyl]cyclopropanecarboxamide);hydrochloride

C81H81Cl3N16O15 — CID 159285515

About 4-acetyl-6-chloropyridine-3-carboxylic acid;N-(4-amino-2-pyridinyl)cyclopropanecarboxamide;methyl 4-acetyl-6-chloropyridine-3-carboxylate;methyl 4-acetyl-6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]methyl]pyridine-3-carboxylate;bis(N-[4-[(1-methyl-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl)methyl]-2-pyridinyl]cyclopropanecarboxamide);hydrochloride

4-acetyl-6-chloropyridine-3-carboxylic acid;N-(4-amino-2-pyridinyl)cyclopropanecarboxamide;methyl 4-acetyl-6-chloropyridine-3-carboxylate;methyl 4-acetyl-6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]methyl]pyridine-3-carboxylate;bis(N-[4-[(1-methyl-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl)methyl]-2-pyridinyl]cyclopropanecarboxamide);hydrochloride (PubChem CID 159285515) has the molecular formula C81H81Cl3N16O15 and a molecular weight of 1624.99 g/mol. Its IUPAC name is 4-acetyl-6-chloropyridine-3-carboxylic acid;N-(4-amino-2-pyridinyl)cyclopropanecarboxamide;methyl 4-acetyl-6-chloropyridine-3-carboxylate;methyl 4-acetyl-6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]methyl]pyridine-3-carboxylate;bis(N-[4-[(1-methyl-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl)methyl]-2-pyridinyl]cyclopropanecarboxamide);hydrochloride.

Molecular Properties

• Compound Name: 4-acetyl-6-chloropyridine-3-carboxylic acid;N-(4-amino-2-pyridinyl)cyclopropanecarboxamide;methyl 4-acetyl-6-chloropyridine-3-carboxylate;methyl 4-acetyl-6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]methyl]pyridine-3-carboxylate;bis(N-[4-[(1-methyl-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl)methyl]-2-pyridinyl]cyclopropanecarboxamide);hydrochloride
• PubChem CID: 159285515
• Molecular Formula: C81H81Cl3N16O15
• Molecular Weight: 1624.99 g/mol
• Exact Mass: 1622.51
• IUPAC Name: 4-acetyl-6-chloropyridine-3-carboxylic acid;N-(4-amino-2-pyridinyl)cyclopropanecarboxamide;methyl 4-acetyl-6-chloropyridine-3-carboxylate;methyl 4-acetyl-6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]methyl]pyridine-3-carboxylate;bis(N-[4-[(1-methyl-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl)methyl]-2-pyridinyl]cyclopropanecarboxamide);hydrochloride
• SMILES: CC(=O)c1cc(Cl)ncc1C(=O)O.CC1NC(=O)c2cnc(Cc3ccnc(NC(=O)C4CC4)c3)cc21.CC1NC(=O)c2cnc(Cc3ccnc(NC(=O)C4CC4)c3)cc21.COC(=O)c1cnc(Cc2ccnc(NC(=O)C3CC3)c2)cc1C(C)=O.COC(=O)c1cnc(Cl)cc1C(C)=O.Cl.Nc1ccnc(NC(=O)C2CC2)c1
• InChI: InChI=1S/C19H19N3O4.2C18H18N4O2.C9H8ClNO3.C9H11N3O.C8H6ClNO3.ClH/c1-11(23)15-9-14(21-10-16(15)19(25)26-2)7-12-5-6-20-17(8-12)22-18(24)13-3-4-13;2*1-10-14-8-13(20-9-15(14)18(24)21-10)6-11-4-5-19-16(7-11)22-17(23)12-2-3-12;1-5(12)6-3-8(10)11-4-7(6)9(13)14-2;10-7-3-4-11-8(5-7)12-9(13)6-1-2-6;1-4(11)5-2-7(9)10-3-6(5)8(12)13;/h5-6,8-10,13H,3-4,7H2,1-2H3,(H,20,22,24);2*4-5,7-10,12H,2-3,6H2,1H3,(H,21,24)(H,19,22,23);3-4H,1-2H3;3-6H,1-2H2,(H3,10,11,12,13);2-3H,1H3,(H,12,13);1H
• InChIKey: GXVRIWOUGXXAJI-UHFFFAOYSA-N
• XLogP: 11.64
• TPSA: 457.74 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 20
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1624.99
LogP ≤ 5	11.64
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-6-chloropyridine-3-carboxylic acid;N-(4-amino-2-pyridinyl)cyclopropanecarboxamide;methyl 4-acetyl-6-chloropyridine-3-carboxylate;methyl 4-acetyl-6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]methyl]pyridine-3-carboxylate;bis(N-[4-[(1-methyl-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl)methyl]-2-pyridinyl]cyclopropanecarboxamide);hydrochloride?

The IUPAC name of 4-acetyl-6-chloropyridine-3-carboxylic acid;N-(4-amino-2-pyridinyl)cyclopropanecarboxamide;methyl 4-acetyl-6-chloropyridine-3-carboxylate;methyl 4-acetyl-6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]methyl]pyridine-3-carboxylate;bis(N-[4-[(1-methyl-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl)methyl]-2-pyridinyl]cyclopropanecarboxamide);hydrochloride (CID 159285515) is 4-acetyl-6-chloropyridine-3-carboxylic acid;N-(4-amino-2-pyridinyl)cyclopropanecarboxamide;methyl 4-acetyl-6-chloropyridine-3-carboxylate;methyl 4-acetyl-6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]methyl]pyridine-3-carboxylate;bis(N-[4-[(1-methyl-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl)methyl]-2-pyridinyl]cyclopropanecarboxamide);hydrochloride.

What is the SMILES notation for 4-acetyl-6-chloropyridine-3-carboxylic acid;N-(4-amino-2-pyridinyl)cyclopropanecarboxamide;methyl 4-acetyl-6-chloropyridine-3-carboxylate;methyl 4-acetyl-6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]methyl]pyridine-3-carboxylate;bis(N-[4-[(1-methyl-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl)methyl]-2-pyridinyl]cyclopropanecarboxamide);hydrochloride?

The canonical SMILES for 4-acetyl-6-chloropyridine-3-carboxylic acid;N-(4-amino-2-pyridinyl)cyclopropanecarboxamide;methyl 4-acetyl-6-chloropyridine-3-carboxylate;methyl 4-acetyl-6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]methyl]pyridine-3-carboxylate;bis(N-[4-[(1-methyl-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl)methyl]-2-pyridinyl]cyclopropanecarboxamide);hydrochloride is CC(=O)c1cc(Cl)ncc1C(=O)O.CC1NC(=O)c2cnc(Cc3ccnc(NC(=O)C4CC4)c3)cc21.CC1NC(=O)c2cnc(Cc3ccnc(NC(=O)C4CC4)c3)cc21.COC(=O)c1cnc(Cc2ccnc(NC(=O)C3CC3)c2)cc1C(C)=O.COC(=O)c1cnc(Cl)cc1C(C)=O.Cl.Nc1ccnc(NC(=O)C2CC2)c1.

What is the InChIKey of 4-acetyl-6-chloropyridine-3-carboxylic acid;N-(4-amino-2-pyridinyl)cyclopropanecarboxamide;methyl 4-acetyl-6-chloropyridine-3-carboxylate;methyl 4-acetyl-6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]methyl]pyridine-3-carboxylate;bis(N-[4-[(1-methyl-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl)methyl]-2-pyridinyl]cyclopropanecarboxamide);hydrochloride?

The InChIKey is GXVRIWOUGXXAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4.2C18H18N4O2.C9H8ClNO3.C9H11N3O.C8H6ClNO3.ClH/c1-11(23)15-9-14(21-10-16(15)19(25)26-2)7-12-5-6-20-17(8-12)22-18(24)13-3-4-13;2*1-10-14-8-13(20-9-15(14)18(24)21-10)6-11-4-5-19-16(7-11)22-17(23)12-2-3-12;1-5(12)6-3-8(10)11-4-7(6)9(13)14-2;10-7-3-4-11-8(5-7)12-9(13)6-1-2-6;1-4(11)5-2-7(9)10-3-6(5)8(12)13;/h5-6,8-10,13H,3-4,7H2,1-2H3,(H,20,22,24);2*4-5,7-10,12H,2-3,6H2,1H3,(H,21,24)(H,19,22,23);3-4H,1-2H3;3-6H,1-2H2,(H3,10,11,12,13);2-3H,1H3,(H,12,13);1H.

What are the key properties of 4-acetyl-6-chloropyridine-3-carboxylic acid;N-(4-amino-2-pyridinyl)cyclopropanecarboxamide;methyl 4-acetyl-6-chloropyridine-3-carboxylate;methyl 4-acetyl-6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]methyl]pyridine-3-carboxylate;bis(N-[4-[(1-methyl-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl)methyl]-2-pyridinyl]cyclopropanecarboxamide);hydrochloride?

4-acetyl-6-chloropyridine-3-carboxylic acid;N-(4-amino-2-pyridinyl)cyclopropanecarboxamide;methyl 4-acetyl-6-chloropyridine-3-carboxylate;methyl 4-acetyl-6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]methyl]pyridine-3-carboxylate;bis(N-[4-[(1-methyl-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl)methyl]-2-pyridinyl]cyclopropanecarboxamide);hydrochloride has a molecular weight of 1624.99 g/mol, XLogP of 11.64, 20 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-acetyl-6-chloropyridine-3-carboxylic acid;N-(4-amino-2-pyridinyl)cyclopropanecarboxamide;methyl 4-acetyl-6-chloropyridine-3-carboxylate;methyl 4-acetyl-6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]methyl]pyridine-3-carboxylate;bis(N-[4-[(1-methyl-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl)methyl]-2-pyridinyl]cyclopropanecarboxamide);hydrochloride is sourced from PubChem (CID 159285515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).