1-cyclopropyl-N-[6-cyclopropyl-4-[2-(3-fluoroazetidine-1-carbonyl)-4-methoxyphenyl]-2-pyridinyl]-5-[[[(2S,3S)-3-methoxybutan-2-yl]amino]methyl]-2-oxopyridine-3-carboxamide

C34H40FN5O5 — CID 176972740

About 1-cyclopropyl-N-[6-cyclopropyl-4-[2-(3-fluoroazetidine-1-carbonyl)-4-methoxyphenyl]-2-pyridinyl]-5-[[[(2S,3S)-3-methoxybutan-2-yl]amino]methyl]-2-oxopyridine-3-carboxamide

1-cyclopropyl-N-[6-cyclopropyl-4-[2-(3-fluoroazetidine-1-carbonyl)-4-methoxyphenyl]-2-pyridinyl]-5-[[[(2S,3S)-3-methoxybutan-2-yl]amino]methyl]-2-oxopyridine-3-carboxamide (PubChem CID 176972740) has the molecular formula C34H40FN5O5 and a molecular weight of 617.72 g/mol. Its IUPAC name is 1-cyclopropyl-N-[6-cyclopropyl-4-[2-(3-fluoroazetidine-1-carbonyl)-4-methoxyphenyl]-2-pyridinyl]-5-[[[(2S,3S)-3-methoxybutan-2-yl]amino]methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-cyclopropyl-N-[6-cyclopropyl-4-[2-(3-fluoroazetidine-1-carbonyl)-4-methoxyphenyl]-2-pyridinyl]-5-[[[(2S,3S)-3-methoxybutan-2-yl]amino]methyl]-2-oxopyridine-3-carboxamide
• PubChem CID: 176972740
• Molecular Formula: C34H40FN5O5
• Molecular Weight: 617.72 g/mol
• Exact Mass: 617.30
• IUPAC Name: 1-cyclopropyl-N-[6-cyclopropyl-4-[2-(3-fluoroazetidine-1-carbonyl)-4-methoxyphenyl]-2-pyridinyl]-5-[[[(2S,3S)-3-methoxybutan-2-yl]amino]methyl]-2-oxopyridine-3-carboxamide
• SMILES: COc1ccc(-c2cc(NC(=O)c3cc(CN[C@@H](C)[C@H](C)OC)cn(C4CC4)c3=O)nc(C3CC3)c2)c(C(=O)N2CC(F)C2)c1
• InChI: InChI=1S/C34H40FN5O5/c1-19(20(2)44-3)36-15-21-11-29(34(43)40(16-21)25-7-8-25)32(41)38-31-13-23(12-30(37-31)22-5-6-22)27-10-9-26(45-4)14-28(27)33(42)39-17-24(35)18-39/h9-14,16,19-20,22,24-25,36H,5-8,15,17-18H2,1-4H3,(H,37,38,41)/t19-,20-/m0/s1
• InChIKey: NXYHZYPGFWNUOW-PMACEKPBSA-N
• XLogP: 4.69
• TPSA: 114.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	617.72
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[6-cyclopropyl-4-[2-(3-fluoroazetidine-1-carbonyl)-4-methoxyphenyl]-2-pyridinyl]-5-[[[(2S,3S)-3-methoxybutan-2-yl]amino]methyl]-2-oxopyridine-3-carboxamide?

The IUPAC name of 1-cyclopropyl-N-[6-cyclopropyl-4-[2-(3-fluoroazetidine-1-carbonyl)-4-methoxyphenyl]-2-pyridinyl]-5-[[[(2S,3S)-3-methoxybutan-2-yl]amino]methyl]-2-oxopyridine-3-carboxamide (CID 176972740) is 1-cyclopropyl-N-[6-cyclopropyl-4-[2-(3-fluoroazetidine-1-carbonyl)-4-methoxyphenyl]-2-pyridinyl]-5-[[[(2S,3S)-3-methoxybutan-2-yl]amino]methyl]-2-oxopyridine-3-carboxamide.

What is the SMILES notation for 1-cyclopropyl-N-[6-cyclopropyl-4-[2-(3-fluoroazetidine-1-carbonyl)-4-methoxyphenyl]-2-pyridinyl]-5-[[[(2S,3S)-3-methoxybutan-2-yl]amino]methyl]-2-oxopyridine-3-carboxamide?

The canonical SMILES for 1-cyclopropyl-N-[6-cyclopropyl-4-[2-(3-fluoroazetidine-1-carbonyl)-4-methoxyphenyl]-2-pyridinyl]-5-[[[(2S,3S)-3-methoxybutan-2-yl]amino]methyl]-2-oxopyridine-3-carboxamide is COc1ccc(-c2cc(NC(=O)c3cc(CN[C@@H](C)[C@H](C)OC)cn(C4CC4)c3=O)nc(C3CC3)c2)c(C(=O)N2CC(F)C2)c1.

What is the InChIKey of 1-cyclopropyl-N-[6-cyclopropyl-4-[2-(3-fluoroazetidine-1-carbonyl)-4-methoxyphenyl]-2-pyridinyl]-5-[[[(2S,3S)-3-methoxybutan-2-yl]amino]methyl]-2-oxopyridine-3-carboxamide?

The InChIKey is NXYHZYPGFWNUOW-PMACEKPBSA-N. The full InChI is InChI=1S/C34H40FN5O5/c1-19(20(2)44-3)36-15-21-11-29(34(43)40(16-21)25-7-8-25)32(41)38-31-13-23(12-30(37-31)22-5-6-22)27-10-9-26(45-4)14-28(27)33(42)39-17-24(35)18-39/h9-14,16,19-20,22,24-25,36H,5-8,15,17-18H2,1-4H3,(H,37,38,41)/t19-,20-/m0/s1.

What are the key properties of 1-cyclopropyl-N-[6-cyclopropyl-4-[2-(3-fluoroazetidine-1-carbonyl)-4-methoxyphenyl]-2-pyridinyl]-5-[[[(2S,3S)-3-methoxybutan-2-yl]amino]methyl]-2-oxopyridine-3-carboxamide?

1-cyclopropyl-N-[6-cyclopropyl-4-[2-(3-fluoroazetidine-1-carbonyl)-4-methoxyphenyl]-2-pyridinyl]-5-[[[(2S,3S)-3-methoxybutan-2-yl]amino]methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 617.72 g/mol, XLogP of 4.69, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-N-[6-cyclopropyl-4-[2-(3-fluoroazetidine-1-carbonyl)-4-methoxyphenyl]-2-pyridinyl]-5-[[[(2S,3S)-3-methoxybutan-2-yl]amino]methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 176972740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).