N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-methylphenyl)-1H-pyrrole-2-carboxamide

C25H28N4O2 — CID 155530877

IUPACN-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-methylphenyl)-1H-pyrrole-2-carboxamide
SMILESCc1ccc(N(C(=O)c2ccc[nH]2)C(C(=O)NC2CCCCC2)c2cccnc2)cc1
InChIInChI=1S/C25H28N4O2/c1-18-11-13-21(14-12-18)29(25(31)22-10-6-16-27-22)23(19-7-5-15-26-17-19)24(30)28-20-8-3-2-4-9-20/h5-7,10-17,20,23,27H,2-4,8-9H2,1H3,(H,28,30)
InChIKeyKZVZDHOSGRXXBF-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.56
Rot. Bonds6

About N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-methylphenyl)-1H-pyrrole-2-carboxamide

N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-methylphenyl)-1H-pyrrole-2-carboxamide (PubChem CID 155530877) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-methylphenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-methylphenyl)-1H-pyrrole-2-carboxamide
PubChem CID155530877
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-methylphenyl)-1H-pyrrole-2-carboxamide
SMILESCc1ccc(N(C(=O)c2ccc[nH]2)C(C(=O)NC2CCCCC2)c2cccnc2)cc1
InChIInChI=1S/C25H28N4O2/c1-18-11-13-21(14-12-18)29(25(31)22-10-6-16-27-22)23(19-7-5-15-26-17-19)24(30)28-20-8-3-2-4-9-20/h5-7,10-17,20,23,27H,2-4,8-9H2,1H3,(H,28,30)
InChIKeyKZVZDHOSGRXXBF-UHFFFAOYSA-N
XLogP4.56
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methylanilino)-2-pyridin-3-ylacetamide
CID 3190864
N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3211147
(2S)-N-cyclohexyl-2-(4-ethyl-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-pyridin-3-ylacetamide
CID 25309220
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-methylphenyl)furan-2-carboxamide
CID 1469065
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-methylphenyl)furan-2-carboxamide
CID 3196514
N-cyclohexyl-2-(4-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-3-ylacetamide
CID 3191129
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3,4-dimethylphenyl)thiadiazole-4-carboxamide
CID 3805319
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-phenylthiadiazole-4-carboxamide
CID 24792301
(2R)-N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-oxopyrrolidine-2-carboxamide
CID 166040529
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
CID 3196515

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-methylphenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-methylphenyl)-1H-pyrrole-2-carboxamide (CID 155530877) is N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-methylphenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-methylphenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-methylphenyl)-1H-pyrrole-2-carboxamide is Cc1ccc(N(C(=O)c2ccc[nH]2)C(C(=O)NC2CCCCC2)c2cccnc2)cc1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-methylphenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is KZVZDHOSGRXXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-18-11-13-21(14-12-18)29(25(31)22-10-6-16-27-22)23(19-7-5-15-26-17-19)24(30)28-20-8-3-2-4-9-20/h5-7,10-17,20,23,27H,2-4,8-9H2,1H3,(H,28,30).
What are the key properties of N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-methylphenyl)-1H-pyrrole-2-carboxamide?
N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-methylphenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-methylphenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 155530877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).