N-[(3-hydroxycyclohexyl)methyl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide

C20H24N2O3 — CID 111825443

IUPACN-[(3-hydroxycyclohexyl)methyl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)c(C(=O)NCC2CCCC(O)C2)cc1-c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-13-17(15-7-3-2-4-8-15)11-18(20(25)22-13)19(24)21-12-14-6-5-9-16(23)10-14/h2-4,7-8,11,14,16,23H,5-6,9-10,12H2,1H3,(H,21,24)(H,22,25)
InChIKeyQROWDXLXOQLIJU-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.63
Rot. Bonds4

About N-[(3-hydroxycyclohexyl)methyl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide

N-[(3-hydroxycyclohexyl)methyl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide (PubChem CID 111825443) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide
PubChem CID111825443
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)c(C(=O)NCC2CCCC(O)C2)cc1-c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-13-17(15-7-3-2-4-8-15)11-18(20(25)22-13)19(24)21-12-14-6-5-9-16(23)10-14/h2-4,7-8,11,14,16,23H,5-6,9-10,12H2,1H3,(H,21,24)(H,22,25)
InChIKeyQROWDXLXOQLIJU-UHFFFAOYSA-N
XLogP2.63
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-hydroxycyclohexyl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 111460143
N-[(3-hydroxycyclohexyl)methyl]-2-methyl-1H-indole-3-carboxamide
CID 103690934
N-(2-ethyl-2-hydroxybutyl)-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide
CID 111825632
2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103950315
2-ethylsulfinyl-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 111459737
2-fluoro-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 103733972
3-bromo-N-[(3-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 103707638
N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide
CID 113241295
5-amino-N-[(3-hydroxycyclohexyl)methyl]-2,4-dimethylbenzamide
CID 106118990
5-(4-hydroxyphenyl)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 75424513
N-[(3-hydroxycyclohexyl)methyl]naphthalene-2-carboxamide
CID 103690977
N-[(3-hydroxycyclohexyl)methyl]-2-nitrobenzamide
CID 103691205

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide (CID 111825443) is N-[(3-hydroxycyclohexyl)methyl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide is Cc1[nH]c(=O)c(C(=O)NCC2CCCC(O)C2)cc1-c1ccccc1.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide?
The InChIKey is QROWDXLXOQLIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-13-17(15-7-3-2-4-8-15)11-18(20(25)22-13)19(24)21-12-14-6-5-9-16(23)10-14/h2-4,7-8,11,14,16,23H,5-6,9-10,12H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide?
N-[(3-hydroxycyclohexyl)methyl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 111825443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).