1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxo-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide

C21H26N4O3 — CID 110246999

IUPAC1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxo-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(=O)n(CC(=O)NC2CCCCC2)c1)c1ccccn1
InChIInChI=1S/C21H26N4O3/c1-15(18-9-5-6-12-22-18)23-21(28)16-10-11-20(27)25(13-16)14-19(26)24-17-7-3-2-4-8-17/h5-6,9-13,15,17H,2-4,7-8,14H2,1H3,(H,23,28)(H,24,26)
InChIKeyBQJGNTDXTPWPKV-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.18
Rot. Bonds6

About 1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxo-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide

1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxo-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide (PubChem CID 110246999) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxo-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxo-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide
PubChem CID110246999
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxo-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(=O)n(CC(=O)NC2CCCCC2)c1)c1ccccn1
InChIInChI=1S/C21H26N4O3/c1-15(18-9-5-6-12-22-18)23-21(28)16-10-11-20(27)25(13-16)14-19(26)24-17-7-3-2-4-8-17/h5-6,9-13,15,17H,2-4,7-8,14H2,1H3,(H,23,28)(H,24,26)
InChIKeyBQJGNTDXTPWPKV-UHFFFAOYSA-N
XLogP2.18
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide
CID 110247005
6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 110246993
6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-[(1S)-1-pyridin-2-ylethyl]pyridine-3-carboxamide
CID 92634575
1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 92634610
N-(4-fluorophenyl)-6-oxo-1-[2-oxo-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]pyridine-3-carboxamide
CID 92635901
methyl 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
CID 24609506
1-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]-N-cyclopentyl-6-oxopyridine-3-carboxamide
CID 92632216
1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxo-N-(3-pyrazol-1-ylphenyl)pyridine-3-carboxamide
CID 92635651
N-[(1S)-1-pyridin-2-ylethyl]cyclohexanecarboxamide
CID 92852511
1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 92635565
N-[2-oxo-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]cyclohexanecarboxamide
CID 92829486
4-tert-butyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 35939821

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxo-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxo-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide (CID 110246999) is 1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxo-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxo-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxo-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide is CC(NC(=O)c1ccc(=O)n(CC(=O)NC2CCCCC2)c1)c1ccccn1.
What is the InChIKey of 1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxo-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide?
The InChIKey is BQJGNTDXTPWPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-15(18-9-5-6-12-22-18)23-21(28)16-10-11-20(27)25(13-16)14-19(26)24-17-7-3-2-4-8-17/h5-6,9-13,15,17H,2-4,7-8,14H2,1H3,(H,23,28)(H,24,26).
What are the key properties of 1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxo-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide?
1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxo-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxo-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 110246999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).