N-[4-[4-cyano-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-(dimethylamino)-2-pyridinyl]-1-cyclopropyl-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide

C32H35F2N7O3 — CID 176972480

About N-[4-[4-cyano-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-(dimethylamino)-2-pyridinyl]-1-cyclopropyl-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide

N-[4-[4-cyano-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-(dimethylamino)-2-pyridinyl]-1-cyclopropyl-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 176972480) has the molecular formula C32H35F2N7O3 and a molecular weight of 603.67 g/mol. Its IUPAC name is N-[4-[4-cyano-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-(dimethylamino)-2-pyridinyl]-1-cyclopropyl-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[4-cyano-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-(dimethylamino)-2-pyridinyl]-1-cyclopropyl-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide
• PubChem CID: 176972480
• Molecular Formula: C32H35F2N7O3
• Molecular Weight: 603.67 g/mol
• Exact Mass: 603.28
• IUPAC Name: N-[4-[4-cyano-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-(dimethylamino)-2-pyridinyl]-1-cyclopropyl-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide
• SMILES: CC(C)CNCc1cc(C(=O)Nc2cc(-c3ccc(C#N)cc3C(=O)N3CC(F)(F)C3)cc(N(C)C)n2)c(=O)n(C2CC2)c1
• InChI: InChI=1S/C32H35F2N7O3/c1-19(2)14-36-15-21-10-26(31(44)41(16-21)23-6-7-23)29(42)38-27-11-22(12-28(37-27)39(3)4)24-8-5-20(13-35)9-25(24)30(43)40-17-32(33,34)18-40/h5,8-12,16,19,23,36H,6-7,14-15,17-18H2,1-4H3,(H,37,38,42)
• InChIKey: AWQYSILQBAQDRD-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 123.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	603.67
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-cyano-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-(dimethylamino)-2-pyridinyl]-1-cyclopropyl-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide?

The IUPAC name of N-[4-[4-cyano-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-(dimethylamino)-2-pyridinyl]-1-cyclopropyl-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide (CID 176972480) is N-[4-[4-cyano-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-(dimethylamino)-2-pyridinyl]-1-cyclopropyl-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide.

What is the SMILES notation for N-[4-[4-cyano-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-(dimethylamino)-2-pyridinyl]-1-cyclopropyl-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide?

The canonical SMILES for N-[4-[4-cyano-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-(dimethylamino)-2-pyridinyl]-1-cyclopropyl-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide is CC(C)CNCc1cc(C(=O)Nc2cc(-c3ccc(C#N)cc3C(=O)N3CC(F)(F)C3)cc(N(C)C)n2)c(=O)n(C2CC2)c1.

What is the InChIKey of N-[4-[4-cyano-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-(dimethylamino)-2-pyridinyl]-1-cyclopropyl-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide?

The InChIKey is AWQYSILQBAQDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F2N7O3/c1-19(2)14-36-15-21-10-26(31(44)41(16-21)23-6-7-23)29(42)38-27-11-22(12-28(37-27)39(3)4)24-8-5-20(13-35)9-25(24)30(43)40-17-32(33,34)18-40/h5,8-12,16,19,23,36H,6-7,14-15,17-18H2,1-4H3,(H,37,38,42).

What are the key properties of N-[4-[4-cyano-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-(dimethylamino)-2-pyridinyl]-1-cyclopropyl-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide?

N-[4-[4-cyano-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-(dimethylamino)-2-pyridinyl]-1-cyclopropyl-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 603.67 g/mol, XLogP of 4.27, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-cyano-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-(dimethylamino)-2-pyridinyl]-1-cyclopropyl-5-[(2-methylpropylamino)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 176972480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).