1-(cyclopropylmethyl)-5-(1-methylpyrazol-4-yl)-3-[(4-phenylcyclohexyl)amino]pyridin-2-one

C25H30N4O — CID 146641029

IUPAC1-(cyclopropylmethyl)-5-(1-methylpyrazol-4-yl)-3-[(4-phenylcyclohexyl)amino]pyridin-2-one
SMILESCn1cc(-c2cc(NC3CCC(c4ccccc4)CC3)c(=O)n(CC3CC3)c2)cn1
InChIInChI=1S/C25H30N4O/c1-28-16-22(14-26-28)21-13-24(25(30)29(17-21)15-18-7-8-18)27-23-11-9-20(10-12-23)19-5-3-2-4-6-19/h2-6,13-14,16-18,20,23,27H,7-12,15H2,1H3
InChIKeyAQMBNVSWCLESQB-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.80
Rot. Bonds6

About 1-(cyclopropylmethyl)-5-(1-methylpyrazol-4-yl)-3-[(4-phenylcyclohexyl)amino]pyridin-2-one

1-(cyclopropylmethyl)-5-(1-methylpyrazol-4-yl)-3-[(4-phenylcyclohexyl)amino]pyridin-2-one (PubChem CID 146641029) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-(1-methylpyrazol-4-yl)-3-[(4-phenylcyclohexyl)amino]pyridin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-(1-methylpyrazol-4-yl)-3-[(4-phenylcyclohexyl)amino]pyridin-2-one
PubChem CID146641029
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC Name1-(cyclopropylmethyl)-5-(1-methylpyrazol-4-yl)-3-[(4-phenylcyclohexyl)amino]pyridin-2-one
SMILESCn1cc(-c2cc(NC3CCC(c4ccccc4)CC3)c(=O)n(CC3CC3)c2)cn1
InChIInChI=1S/C25H30N4O/c1-28-16-22(14-26-28)21-13-24(25(30)29(17-21)15-18-7-8-18)27-23-11-9-20(10-12-23)19-5-3-2-4-6-19/h2-6,13-14,16-18,20,23,27H,7-12,15H2,1H3
InChIKeyAQMBNVSWCLESQB-UHFFFAOYSA-N
XLogP4.80
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)-3-[(4-pyrimidin-5-ylcyclohexyl)amino]pyridin-2-one
CID 146640961
3-[[4-(3,4-dimethoxyphenyl)cyclohexyl]amino]-1-ethyl-5-(1-methylpyrazol-4-yl)pyridin-2-one
CID 146640813
1-(2-methylpropyl)-3-[(4-phenylcyclohexyl)amino]-5-pyrimidin-5-ylpyridin-2-one
CID 146640819
1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)-3-[(1-phenylpiperidin-4-yl)amino]pyridin-2-one
CID 146641031
5-cyclopropyl-1-methyl-3-[(4-phenylcyclohexyl)amino]pyridin-2-one
CID 146640616
4-[4-[[1-(2-methylpropyl)-2-oxo-5-(1,2-thiazol-4-yl)-3-pyridinyl]amino]cyclohexyl]benzenesulfonamide
CID 146641050
3-(methoxyamino)-1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)pyridin-2-one
CID 146640993
2-(cyclobutylamino)-5-(1-methylpyrazol-4-yl)benzoic acid
CID 146095809
8-chloro-3-(cyclopropylmethyl)-N-(4-phenylcyclohexyl)-[1,2,4]triazolo[4,3-b]pyridazin-7-amine
CID 118108277
N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
CID 54980066
1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285
2,5-difluoro-N-(4-phenylcyclohexyl)aniline
CID 29275617

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-(1-methylpyrazol-4-yl)-3-[(4-phenylcyclohexyl)amino]pyridin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-5-(1-methylpyrazol-4-yl)-3-[(4-phenylcyclohexyl)amino]pyridin-2-one (CID 146641029) is 1-(cyclopropylmethyl)-5-(1-methylpyrazol-4-yl)-3-[(4-phenylcyclohexyl)amino]pyridin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-(1-methylpyrazol-4-yl)-3-[(4-phenylcyclohexyl)amino]pyridin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-5-(1-methylpyrazol-4-yl)-3-[(4-phenylcyclohexyl)amino]pyridin-2-one is Cn1cc(-c2cc(NC3CCC(c4ccccc4)CC3)c(=O)n(CC3CC3)c2)cn1.
What is the InChIKey of 1-(cyclopropylmethyl)-5-(1-methylpyrazol-4-yl)-3-[(4-phenylcyclohexyl)amino]pyridin-2-one?
The InChIKey is AQMBNVSWCLESQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-28-16-22(14-26-28)21-13-24(25(30)29(17-21)15-18-7-8-18)27-23-11-9-20(10-12-23)19-5-3-2-4-6-19/h2-6,13-14,16-18,20,23,27H,7-12,15H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-5-(1-methylpyrazol-4-yl)-3-[(4-phenylcyclohexyl)amino]pyridin-2-one?
1-(cyclopropylmethyl)-5-(1-methylpyrazol-4-yl)-3-[(4-phenylcyclohexyl)amino]pyridin-2-one has a molecular weight of 402.54 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-(1-methylpyrazol-4-yl)-3-[(4-phenylcyclohexyl)amino]pyridin-2-one is sourced from PubChem (CID 146641029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).