N-cyclohexyl-1-(2-methylpropyl)-4-oxo-5-(thiomorpholine-4-carbonyl)pyridine-3-carboxamide

C21H31N3O3S — CID 42463229

IUPACN-cyclohexyl-1-(2-methylpropyl)-4-oxo-5-(thiomorpholine-4-carbonyl)pyridine-3-carboxamide
SMILESCC(C)Cn1cc(C(=O)NC2CCCCC2)c(=O)c(C(=O)N2CCSCC2)c1
InChIInChI=1S/C21H31N3O3S/c1-15(2)12-23-13-17(20(26)22-16-6-4-3-5-7-16)19(25)18(14-23)21(27)24-8-10-28-11-9-24/h13-16H,3-12H2,1-2H3,(H,22,26)
InChIKeyYGRWRWPIYIUQFM-UHFFFAOYSA-N
MW405.56 g/mol
LogP2.76
Rot. Bonds5

About N-cyclohexyl-1-(2-methylpropyl)-4-oxo-5-(thiomorpholine-4-carbonyl)pyridine-3-carboxamide

N-cyclohexyl-1-(2-methylpropyl)-4-oxo-5-(thiomorpholine-4-carbonyl)pyridine-3-carboxamide (PubChem CID 42463229) has the molecular formula C21H31N3O3S and a molecular weight of 405.56 g/mol. Its IUPAC name is N-cyclohexyl-1-(2-methylpropyl)-4-oxo-5-(thiomorpholine-4-carbonyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(2-methylpropyl)-4-oxo-5-(thiomorpholine-4-carbonyl)pyridine-3-carboxamide
PubChem CID42463229
Molecular FormulaC21H31N3O3S
Molecular Weight405.56 g/mol
Exact Mass405.21
IUPAC NameN-cyclohexyl-1-(2-methylpropyl)-4-oxo-5-(thiomorpholine-4-carbonyl)pyridine-3-carboxamide
SMILESCC(C)Cn1cc(C(=O)NC2CCCCC2)c(=O)c(C(=O)N2CCSCC2)c1
InChIInChI=1S/C21H31N3O3S/c1-15(2)12-23-13-17(20(26)22-16-6-4-3-5-7-16)19(25)18(14-23)21(27)24-8-10-28-11-9-24/h13-16H,3-12H2,1-2H3,(H,22,26)
InChIKeyYGRWRWPIYIUQFM-UHFFFAOYSA-N
XLogP2.76
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.56
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-cyclooctyl-1-(2-methylpropyl)-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 26363662
3-N-cyclohexyl-5-N-(2-hydroxybutyl)-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 45252429
1-cyclohexyl-N-cyclopentyl-4-oxo-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 26339108
N-cyclohexyl-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 42499907
5-(azocane-1-carbonyl)-N-cyclooctyl-4-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 45182329
N-cycloheptyl-4-oxo-5-(4-phenylpiperazine-1-carbonyl)-1-propan-2-ylpyridine-3-carboxamide
CID 42166830
N-cyclooctyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2-methoxyethyl)-4-oxopyridine-3-carboxamide
CID 26281992
5-(azepane-1-carbonyl)-N-cyclooctyl-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 26278147
ethyl (3S)-1-[5-(cycloheptylcarbamoyl)-1-cyclopropyl-4-oxopyridine-3-carbonyl]piperidine-3-carboxylate
CID 42247794
5-(azocane-1-carbonyl)-N-methyl-1-(3-methylbutyl)-4-oxopyridine-3-carboxamide
CID 26333635
N-cycloheptyl-5-[4-(6-methyl-2-pyridinyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 26361626
N-cyclooctyl-5-[(3R)-3-methylpiperidine-1-carbonyl]-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 42449631

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(2-methylpropyl)-4-oxo-5-(thiomorpholine-4-carbonyl)pyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-(2-methylpropyl)-4-oxo-5-(thiomorpholine-4-carbonyl)pyridine-3-carboxamide (CID 42463229) is N-cyclohexyl-1-(2-methylpropyl)-4-oxo-5-(thiomorpholine-4-carbonyl)pyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(2-methylpropyl)-4-oxo-5-(thiomorpholine-4-carbonyl)pyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(2-methylpropyl)-4-oxo-5-(thiomorpholine-4-carbonyl)pyridine-3-carboxamide is CC(C)Cn1cc(C(=O)NC2CCCCC2)c(=O)c(C(=O)N2CCSCC2)c1.
What is the InChIKey of N-cyclohexyl-1-(2-methylpropyl)-4-oxo-5-(thiomorpholine-4-carbonyl)pyridine-3-carboxamide?
The InChIKey is YGRWRWPIYIUQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3S/c1-15(2)12-23-13-17(20(26)22-16-6-4-3-5-7-16)19(25)18(14-23)21(27)24-8-10-28-11-9-24/h13-16H,3-12H2,1-2H3,(H,22,26).
What are the key properties of N-cyclohexyl-1-(2-methylpropyl)-4-oxo-5-(thiomorpholine-4-carbonyl)pyridine-3-carboxamide?
N-cyclohexyl-1-(2-methylpropyl)-4-oxo-5-(thiomorpholine-4-carbonyl)pyridine-3-carboxamide has a molecular weight of 405.56 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(2-methylpropyl)-4-oxo-5-(thiomorpholine-4-carbonyl)pyridine-3-carboxamide is sourced from PubChem (CID 42463229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).