3-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(1H-imidazole-5-carbonyl)amino]-6-cyclopropylpyridine-2-carboxamide

C26H29N7O3 — CID 166040855

IUPAC3-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(1H-imidazole-5-carbonyl)amino]-6-cyclopropylpyridine-2-carboxamide
SMILESNC(=O)c1nc(C2CC2)ccc1N(C(=O)c1cnc[nH]1)C(C(=O)NC1CCCCC1)c1cccnc1
InChIInChI=1S/C26H29N7O3/c27-24(34)22-21(11-10-19(32-22)16-8-9-16)33(26(36)20-14-29-15-30-20)23(17-5-4-12-28-13-17)25(35)31-18-6-2-1-3-7-18/h4-5,10-16,18,23H,1-3,6-9H2,(H2,27,34)(H,29,30)(H,31,35)
InChIKeyDUKBVGWIUFITMC-UHFFFAOYSA-N
MW487.56 g/mol
LogP3.01
Rot. Bonds8

About 3-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(1H-imidazole-5-carbonyl)amino]-6-cyclopropylpyridine-2-carboxamide

3-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(1H-imidazole-5-carbonyl)amino]-6-cyclopropylpyridine-2-carboxamide (PubChem CID 166040855) has the molecular formula C26H29N7O3 and a molecular weight of 487.56 g/mol. Its IUPAC name is 3-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(1H-imidazole-5-carbonyl)amino]-6-cyclopropylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(1H-imidazole-5-carbonyl)amino]-6-cyclopropylpyridine-2-carboxamide
PubChem CID166040855
Molecular FormulaC26H29N7O3
Molecular Weight487.56 g/mol
Exact Mass487.23
IUPAC Name3-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(1H-imidazole-5-carbonyl)amino]-6-cyclopropylpyridine-2-carboxamide
SMILESNC(=O)c1nc(C2CC2)ccc1N(C(=O)c1cnc[nH]1)C(C(=O)NC1CCCCC1)c1cccnc1
InChIInChI=1S/C26H29N7O3/c27-24(34)22-21(11-10-19(32-22)16-8-9-16)33(26(36)20-14-29-15-30-20)23(17-5-4-12-28-13-17)25(35)31-18-6-2-1-3-7-18/h4-5,10-16,18,23H,1-3,6-9H2,(H2,27,34)(H,29,30)(H,31,35)
InChIKeyDUKBVGWIUFITMC-UHFFFAOYSA-N
XLogP3.01
TPSA146.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(1H-imidazole-5-carbonyl)amino]-6-cyclopropylpyridine-2-carboxamide with MolForge

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Related Compounds

N-(2-cyano-6-cyclopropyl-3-pyridinyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide
CID 166040785
N-(6-tert-butyl-2-cyano-3-pyridinyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide
CID 166040824
N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide;N-(4-tert-butylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide
CID 157344591
N-(4-tert-butylphenyl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide
CID 156907379
N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-methylphenyl)-1H-pyrrole-2-carboxamide
CID 155530877
N-(4-tert-butylphenyl)-N-[2-[[(1S,3R)-3-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide
CID 168806754
N-(4-tert-butylphenyl)-N-[2-[[(1S,3S)-3-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide
CID 168806827
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-phenylthiadiazole-4-carboxamide
CID 24792301
tert-butyl 4-[[2-[4-tert-butyl-N-(1H-imidazole-5-carbonyl)anilino]-2-pyridin-3-ylacetyl]amino]piperidine-1-carboxylate
CID 168806756
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2-methylphenyl)furan-2-carboxamide
CID 3196519
2-[2-chloro-N-methyl-4-(pentafluoro-λ6-sulfanyl)anilino]-N-cyclohexyl-2-pyridin-3-ylacetamide
CID 156893829
N-(4-tert-butylphenyl)-N-[2-oxo-2-[[1-[oxolan-2-yl(phenyl)methyl]piperidin-3-yl]amino]-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide
CID 168806860

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(1H-imidazole-5-carbonyl)amino]-6-cyclopropylpyridine-2-carboxamide?
The IUPAC name of 3-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(1H-imidazole-5-carbonyl)amino]-6-cyclopropylpyridine-2-carboxamide (CID 166040855) is 3-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(1H-imidazole-5-carbonyl)amino]-6-cyclopropylpyridine-2-carboxamide.
What is the SMILES notation for 3-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(1H-imidazole-5-carbonyl)amino]-6-cyclopropylpyridine-2-carboxamide?
The canonical SMILES for 3-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(1H-imidazole-5-carbonyl)amino]-6-cyclopropylpyridine-2-carboxamide is NC(=O)c1nc(C2CC2)ccc1N(C(=O)c1cnc[nH]1)C(C(=O)NC1CCCCC1)c1cccnc1.
What is the InChIKey of 3-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(1H-imidazole-5-carbonyl)amino]-6-cyclopropylpyridine-2-carboxamide?
The InChIKey is DUKBVGWIUFITMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O3/c27-24(34)22-21(11-10-19(32-22)16-8-9-16)33(26(36)20-14-29-15-30-20)23(17-5-4-12-28-13-17)25(35)31-18-6-2-1-3-7-18/h4-5,10-16,18,23H,1-3,6-9H2,(H2,27,34)(H,29,30)(H,31,35).
What are the key properties of 3-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(1H-imidazole-5-carbonyl)amino]-6-cyclopropylpyridine-2-carboxamide?
3-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(1H-imidazole-5-carbonyl)amino]-6-cyclopropylpyridine-2-carboxamide has a molecular weight of 487.56 g/mol, XLogP of 3.01, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(1H-imidazole-5-carbonyl)amino]-6-cyclopropylpyridine-2-carboxamide is sourced from PubChem (CID 166040855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).