5-[[[(1S)-1-cyclobutylethyl]amino]methyl]-1-cyclopropyl-N-[4-[2-(3-fluoroazetidine-1-carbonyl)-4-methylphenyl]-6-propan-2-yloxy-2-pyridinyl]-2-oxopyridine-3-carboxamide

C35H42FN5O4 — CID 176972335

About 5-[[[(1S)-1-cyclobutylethyl]amino]methyl]-1-cyclopropyl-N-[4-[2-(3-fluoroazetidine-1-carbonyl)-4-methylphenyl]-6-propan-2-yloxy-2-pyridinyl]-2-oxopyridine-3-carboxamide

5-[[[(1S)-1-cyclobutylethyl]amino]methyl]-1-cyclopropyl-N-[4-[2-(3-fluoroazetidine-1-carbonyl)-4-methylphenyl]-6-propan-2-yloxy-2-pyridinyl]-2-oxopyridine-3-carboxamide (PubChem CID 176972335) has the molecular formula C35H42FN5O4 and a molecular weight of 615.75 g/mol. Its IUPAC name is 5-[[[(1S)-1-cyclobutylethyl]amino]methyl]-1-cyclopropyl-N-[4-[2-(3-fluoroazetidine-1-carbonyl)-4-methylphenyl]-6-propan-2-yloxy-2-pyridinyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[[[(1S)-1-cyclobutylethyl]amino]methyl]-1-cyclopropyl-N-[4-[2-(3-fluoroazetidine-1-carbonyl)-4-methylphenyl]-6-propan-2-yloxy-2-pyridinyl]-2-oxopyridine-3-carboxamide
• PubChem CID: 176972335
• Molecular Formula: C35H42FN5O4
• Molecular Weight: 615.75 g/mol
• Exact Mass: 615.32
• IUPAC Name: 5-[[[(1S)-1-cyclobutylethyl]amino]methyl]-1-cyclopropyl-N-[4-[2-(3-fluoroazetidine-1-carbonyl)-4-methylphenyl]-6-propan-2-yloxy-2-pyridinyl]-2-oxopyridine-3-carboxamide
• SMILES: Cc1ccc(-c2cc(NC(=O)c3cc(CN[C@@H](C)C4CCC4)cn(C4CC4)c3=O)nc(OC(C)C)c2)c(C(=O)N2CC(F)C2)c1
• InChI: InChI=1S/C35H42FN5O4/c1-20(2)45-32-15-25(28-11-8-21(3)12-29(28)34(43)40-18-26(36)19-40)14-31(38-32)39-33(42)30-13-23(16-37-22(4)24-6-5-7-24)17-41(35(30)44)27-9-10-27/h8,11-15,17,20,22,24,26-27,37H,5-7,9-10,16,18-19H2,1-4H3,(H,38,39,42)/t22-/m0/s1
• InChIKey: ASEFIEZGOJAPHV-QFIPXVFZSA-N
• XLogP: 5.67
• TPSA: 105.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	615.75
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[[[(1S)-1-cyclobutylethyl]amino]methyl]-1-cyclopropyl-N-[4-[2-(3-fluoroazetidine-1-carbonyl)-4-methylphenyl]-6-propan-2-yloxy-2-pyridinyl]-2-oxopyridine-3-carboxamide?

The IUPAC name of 5-[[[(1S)-1-cyclobutylethyl]amino]methyl]-1-cyclopropyl-N-[4-[2-(3-fluoroazetidine-1-carbonyl)-4-methylphenyl]-6-propan-2-yloxy-2-pyridinyl]-2-oxopyridine-3-carboxamide (CID 176972335) is 5-[[[(1S)-1-cyclobutylethyl]amino]methyl]-1-cyclopropyl-N-[4-[2-(3-fluoroazetidine-1-carbonyl)-4-methylphenyl]-6-propan-2-yloxy-2-pyridinyl]-2-oxopyridine-3-carboxamide.

What is the SMILES notation for 5-[[[(1S)-1-cyclobutylethyl]amino]methyl]-1-cyclopropyl-N-[4-[2-(3-fluoroazetidine-1-carbonyl)-4-methylphenyl]-6-propan-2-yloxy-2-pyridinyl]-2-oxopyridine-3-carboxamide?

The canonical SMILES for 5-[[[(1S)-1-cyclobutylethyl]amino]methyl]-1-cyclopropyl-N-[4-[2-(3-fluoroazetidine-1-carbonyl)-4-methylphenyl]-6-propan-2-yloxy-2-pyridinyl]-2-oxopyridine-3-carboxamide is Cc1ccc(-c2cc(NC(=O)c3cc(CN[C@@H](C)C4CCC4)cn(C4CC4)c3=O)nc(OC(C)C)c2)c(C(=O)N2CC(F)C2)c1.

What is the InChIKey of 5-[[[(1S)-1-cyclobutylethyl]amino]methyl]-1-cyclopropyl-N-[4-[2-(3-fluoroazetidine-1-carbonyl)-4-methylphenyl]-6-propan-2-yloxy-2-pyridinyl]-2-oxopyridine-3-carboxamide?

The InChIKey is ASEFIEZGOJAPHV-QFIPXVFZSA-N. The full InChI is InChI=1S/C35H42FN5O4/c1-20(2)45-32-15-25(28-11-8-21(3)12-29(28)34(43)40-18-26(36)19-40)14-31(38-32)39-33(42)30-13-23(16-37-22(4)24-6-5-7-24)17-41(35(30)44)27-9-10-27/h8,11-15,17,20,22,24,26-27,37H,5-7,9-10,16,18-19H2,1-4H3,(H,38,39,42)/t22-/m0/s1.

What are the key properties of 5-[[[(1S)-1-cyclobutylethyl]amino]methyl]-1-cyclopropyl-N-[4-[2-(3-fluoroazetidine-1-carbonyl)-4-methylphenyl]-6-propan-2-yloxy-2-pyridinyl]-2-oxopyridine-3-carboxamide?

5-[[[(1S)-1-cyclobutylethyl]amino]methyl]-1-cyclopropyl-N-[4-[2-(3-fluoroazetidine-1-carbonyl)-4-methylphenyl]-6-propan-2-yloxy-2-pyridinyl]-2-oxopyridine-3-carboxamide has a molecular weight of 615.75 g/mol, XLogP of 5.67, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[[(1S)-1-cyclobutylethyl]amino]methyl]-1-cyclopropyl-N-[4-[2-(3-fluoroazetidine-1-carbonyl)-4-methylphenyl]-6-propan-2-yloxy-2-pyridinyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 176972335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).