N-[4-(2-acetyl-4-chlorophenyl)-6-cyclopropyl-2-pyridinyl]-1-cyclopropyl-5-[(3-methylbutylamino)methyl]-2-oxopyridine-3-carboxamide;3-ethyl-1,1-difluorocyclobutane

C37H45ClF2N4O3 — CID 176972494

About N-[4-(2-acetyl-4-chlorophenyl)-6-cyclopropyl-2-pyridinyl]-1-cyclopropyl-5-[(3-methylbutylamino)methyl]-2-oxopyridine-3-carboxamide;3-ethyl-1,1-difluorocyclobutane

N-[4-(2-acetyl-4-chlorophenyl)-6-cyclopropyl-2-pyridinyl]-1-cyclopropyl-5-[(3-methylbutylamino)methyl]-2-oxopyridine-3-carboxamide;3-ethyl-1,1-difluorocyclobutane (PubChem CID 176972494) has the molecular formula C37H45ClF2N4O3 and a molecular weight of 667.24 g/mol. Its IUPAC name is N-[4-(2-acetyl-4-chlorophenyl)-6-cyclopropyl-2-pyridinyl]-1-cyclopropyl-5-[(3-methylbutylamino)methyl]-2-oxopyridine-3-carboxamide;3-ethyl-1,1-difluorocyclobutane.

Molecular Properties

• Compound Name: N-[4-(2-acetyl-4-chlorophenyl)-6-cyclopropyl-2-pyridinyl]-1-cyclopropyl-5-[(3-methylbutylamino)methyl]-2-oxopyridine-3-carboxamide;3-ethyl-1,1-difluorocyclobutane
• PubChem CID: 176972494
• Molecular Formula: C37H45ClF2N4O3
• Molecular Weight: 667.24 g/mol
• Exact Mass: 666.31
• IUPAC Name: N-[4-(2-acetyl-4-chlorophenyl)-6-cyclopropyl-2-pyridinyl]-1-cyclopropyl-5-[(3-methylbutylamino)methyl]-2-oxopyridine-3-carboxamide;3-ethyl-1,1-difluorocyclobutane
• SMILES: CC(=O)c1cc(Cl)ccc1-c1cc(NC(=O)c2cc(CNCCC(C)C)cn(C3CC3)c2=O)nc(C2CC2)c1.CCC1CC(F)(F)C1
• InChI: InChI=1S/C31H35ClN4O3.C6H10F2/c1-18(2)10-11-33-16-20-12-27(31(39)36(17-20)24-7-8-24)30(38)35-29-14-22(13-28(34-29)21-4-5-21)25-9-6-23(32)15-26(25)19(3)37;1-2-5-3-6(7,8)4-5/h6,9,12-15,17-18,21,24,33H,4-5,7-8,10-11,16H2,1-3H3,(H,34,35,38);5H,2-4H2,1H3
• InChIKey: XJGUUCIHJOBSKS-UHFFFAOYSA-N
• XLogP: 8.81
• TPSA: 93.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	667.24
LogP ≤ 5	8.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-acetyl-4-chlorophenyl)-6-cyclopropyl-2-pyridinyl]-1-cyclopropyl-5-[(3-methylbutylamino)methyl]-2-oxopyridine-3-carboxamide;3-ethyl-1,1-difluorocyclobutane?

The IUPAC name of N-[4-(2-acetyl-4-chlorophenyl)-6-cyclopropyl-2-pyridinyl]-1-cyclopropyl-5-[(3-methylbutylamino)methyl]-2-oxopyridine-3-carboxamide;3-ethyl-1,1-difluorocyclobutane (CID 176972494) is N-[4-(2-acetyl-4-chlorophenyl)-6-cyclopropyl-2-pyridinyl]-1-cyclopropyl-5-[(3-methylbutylamino)methyl]-2-oxopyridine-3-carboxamide;3-ethyl-1,1-difluorocyclobutane.

What is the SMILES notation for N-[4-(2-acetyl-4-chlorophenyl)-6-cyclopropyl-2-pyridinyl]-1-cyclopropyl-5-[(3-methylbutylamino)methyl]-2-oxopyridine-3-carboxamide;3-ethyl-1,1-difluorocyclobutane?

The canonical SMILES for N-[4-(2-acetyl-4-chlorophenyl)-6-cyclopropyl-2-pyridinyl]-1-cyclopropyl-5-[(3-methylbutylamino)methyl]-2-oxopyridine-3-carboxamide;3-ethyl-1,1-difluorocyclobutane is CC(=O)c1cc(Cl)ccc1-c1cc(NC(=O)c2cc(CNCCC(C)C)cn(C3CC3)c2=O)nc(C2CC2)c1.CCC1CC(F)(F)C1.

What is the InChIKey of N-[4-(2-acetyl-4-chlorophenyl)-6-cyclopropyl-2-pyridinyl]-1-cyclopropyl-5-[(3-methylbutylamino)methyl]-2-oxopyridine-3-carboxamide;3-ethyl-1,1-difluorocyclobutane?

The InChIKey is XJGUUCIHJOBSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35ClN4O3.C6H10F2/c1-18(2)10-11-33-16-20-12-27(31(39)36(17-20)24-7-8-24)30(38)35-29-14-22(13-28(34-29)21-4-5-21)25-9-6-23(32)15-26(25)19(3)37;1-2-5-3-6(7,8)4-5/h6,9,12-15,17-18,21,24,33H,4-5,7-8,10-11,16H2,1-3H3,(H,34,35,38);5H,2-4H2,1H3.

What are the key properties of N-[4-(2-acetyl-4-chlorophenyl)-6-cyclopropyl-2-pyridinyl]-1-cyclopropyl-5-[(3-methylbutylamino)methyl]-2-oxopyridine-3-carboxamide;3-ethyl-1,1-difluorocyclobutane?

N-[4-(2-acetyl-4-chlorophenyl)-6-cyclopropyl-2-pyridinyl]-1-cyclopropyl-5-[(3-methylbutylamino)methyl]-2-oxopyridine-3-carboxamide;3-ethyl-1,1-difluorocyclobutane has a molecular weight of 667.24 g/mol, XLogP of 8.81, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-acetyl-4-chlorophenyl)-6-cyclopropyl-2-pyridinyl]-1-cyclopropyl-5-[(3-methylbutylamino)methyl]-2-oxopyridine-3-carboxamide;3-ethyl-1,1-difluorocyclobutane is sourced from PubChem (CID 176972494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).