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

C34H38F2N6O3 — CID 176972864

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

N-[4-[4-cyano-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-cyclopropyl-2-pyridinyl]-5-[(cyclobutylmethylamino)methyl]-1-methyl-2-oxopyridine-3-carboxamide;ethane (PubChem CID 176972864) has the molecular formula C34H38F2N6O3 and a molecular weight of 616.71 g/mol. Its IUPAC name is N-[4-[4-cyano-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-cyclopropyl-2-pyridinyl]-5-[(cyclobutylmethylamino)methyl]-1-methyl-2-oxopyridine-3-carboxamide;ethane.

Molecular Properties

• Compound Name: N-[4-[4-cyano-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-cyclopropyl-2-pyridinyl]-5-[(cyclobutylmethylamino)methyl]-1-methyl-2-oxopyridine-3-carboxamide;ethane
• PubChem CID: 176972864
• Molecular Formula: C34H38F2N6O3
• Molecular Weight: 616.71 g/mol
• Exact Mass: 616.30
• IUPAC Name: N-[4-[4-cyano-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-cyclopropyl-2-pyridinyl]-5-[(cyclobutylmethylamino)methyl]-1-methyl-2-oxopyridine-3-carboxamide;ethane
• SMILES: CC.Cn1cc(CNCC2CCC2)cc(C(=O)Nc2cc(-c3ccc(C#N)cc3C(=O)N3CC(F)(F)C3)cc(C3CC3)n2)c1=O
• InChI: InChI=1S/C32H32F2N6O3.C2H6/c1-39-16-21(15-36-14-19-3-2-4-19)10-26(30(39)42)29(41)38-28-12-23(11-27(37-28)22-6-7-22)24-8-5-20(13-35)9-25(24)31(43)40-17-32(33,34)18-40;1-2/h5,8-12,16,19,22,36H,2-4,6-7,14-15,17-18H2,1H3,(H,37,38,41);1-2H3
• InChIKey: XNYLRMXYIFCSJA-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 120.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	616.71
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[4-[4-cyano-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-cyclopropyl-2-pyridinyl]-5-[(cyclobutylmethylamino)methyl]-1-methyl-2-oxopyridine-3-carboxamide;ethane (CID 176972864) is N-[4-[4-cyano-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-cyclopropyl-2-pyridinyl]-5-[(cyclobutylmethylamino)methyl]-1-methyl-2-oxopyridine-3-carboxamide;ethane.

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

The canonical SMILES for N-[4-[4-cyano-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-cyclopropyl-2-pyridinyl]-5-[(cyclobutylmethylamino)methyl]-1-methyl-2-oxopyridine-3-carboxamide;ethane is CC.Cn1cc(CNCC2CCC2)cc(C(=O)Nc2cc(-c3ccc(C#N)cc3C(=O)N3CC(F)(F)C3)cc(C3CC3)n2)c1=O.

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

The InChIKey is XNYLRMXYIFCSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F2N6O3.C2H6/c1-39-16-21(15-36-14-19-3-2-4-19)10-26(30(39)42)29(41)38-28-12-23(11-27(37-28)22-6-7-22)24-8-5-20(13-35)9-25(24)31(43)40-17-32(33,34)18-40;1-2/h5,8-12,16,19,22,36H,2-4,6-7,14-15,17-18H2,1H3,(H,37,38,41);1-2H3.

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

N-[4-[4-cyano-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-cyclopropyl-2-pyridinyl]-5-[(cyclobutylmethylamino)methyl]-1-methyl-2-oxopyridine-3-carboxamide;ethane has a molecular weight of 616.71 g/mol, XLogP of 5.46, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-cyano-2-(3,3-difluoroazetidine-1-carbonyl)phenyl]-6-cyclopropyl-2-pyridinyl]-5-[(cyclobutylmethylamino)methyl]-1-methyl-2-oxopyridine-3-carboxamide;ethane is sourced from PubChem (CID 176972864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).