1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-oxopyridine-3-carboxamide

C22H29N5O3 — CID 92635227

About 1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-oxopyridine-3-carboxamide

1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 92635227) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is 1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-oxopyridine-3-carboxamide
• PubChem CID: 92635227
• Molecular Formula: C22H29N5O3
• Molecular Weight: 411.51 g/mol
• Exact Mass: 411.23
• IUPAC Name: 1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-oxopyridine-3-carboxamide
• SMILES: Cn1ccnc1[C@@H](NC(=O)c1cccn(CC(=O)NC2CCCCC2)c1=O)C1CC1
• InChI: InChI=1S/C22H29N5O3/c1-26-13-11-23-20(26)19(15-9-10-15)25-21(29)17-8-5-12-27(22(17)30)14-18(28)24-16-6-3-2-4-7-16/h5,8,11-13,15-16,19H,2-4,6-7,9-10,14H2,1H3,(H,24,28)(H,25,29)/t19-/m0/s1
• InChIKey: NYILLYFXUUZNNR-IBGZPJMESA-N
• XLogP: 1.91
• TPSA: 98.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.51
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-oxopyridine-3-carboxamide?

The IUPAC name of 1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-oxopyridine-3-carboxamide (CID 92635227) is 1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-oxopyridine-3-carboxamide.

What is the SMILES notation for 1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-oxopyridine-3-carboxamide?

The canonical SMILES for 1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-oxopyridine-3-carboxamide is Cn1ccnc1[C@@H](NC(=O)c1cccn(CC(=O)NC2CCCCC2)c1=O)C1CC1.

What is the InChIKey of 1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-oxopyridine-3-carboxamide?

The InChIKey is NYILLYFXUUZNNR-IBGZPJMESA-N. The full InChI is InChI=1S/C22H29N5O3/c1-26-13-11-23-20(26)19(15-9-10-15)25-21(29)17-8-5-12-27(22(17)30)14-18(28)24-16-6-3-2-4-7-16/h5,8,11-13,15-16,19H,2-4,6-7,9-10,14H2,1H3,(H,24,28)(H,25,29)/t19-/m0/s1.

What are the key properties of 1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-oxopyridine-3-carboxamide?

1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 92635227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).