N-[(1S,2S)-2-carbamoylcyclohexyl]-5-chloropyridine-2-carboxamide

C13H16ClN3O2 — CID 96528381

IUPACN-[(1S,2S)-2-carbamoylcyclohexyl]-5-chloropyridine-2-carboxamide
SMILESNC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)cn1
InChIInChI=1S/C13H16ClN3O2/c14-8-5-6-11(16-7-8)13(19)17-10-4-2-1-3-9(10)12(15)18/h5-7,9-10H,1-4H2,(H2,15,18)(H,17,19)/t9-,10-/m0/s1
InChIKeyYIUHCSDOUTWXQU-UWVGGRQHSA-N
MW281.74 g/mol
LogP1.51
Rot. Bonds3

About N-[(1S,2S)-2-carbamoylcyclohexyl]-5-chloropyridine-2-carboxamide

N-[(1S,2S)-2-carbamoylcyclohexyl]-5-chloropyridine-2-carboxamide (PubChem CID 96528381) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is N-[(1S,2S)-2-carbamoylcyclohexyl]-5-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-carbamoylcyclohexyl]-5-chloropyridine-2-carboxamide
PubChem CID96528381
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC NameN-[(1S,2S)-2-carbamoylcyclohexyl]-5-chloropyridine-2-carboxamide
SMILESNC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)cn1
InChIInChI=1S/C13H16ClN3O2/c14-8-5-6-11(16-7-8)13(19)17-10-4-2-1-3-9(10)12(15)18/h5-7,9-10H,1-4H2,(H2,15,18)(H,17,19)/t9-,10-/m0/s1
InChIKeyYIUHCSDOUTWXQU-UWVGGRQHSA-N
XLogP1.51
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-2-carboxamide
CID 104927278
5-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]pyridine-2-carboxamide
CID 122559914
N-[(1R,2R)-2-carbamoylcyclohexyl]-3-chloro-4-fluorobenzamide
CID 124601145
N-(2-carbamoylcyclohexyl)-3-chloro-4-fluorobenzamide
CID 122147253
N-(2-carbamothioylcyclopentyl)pyridine-2-carboxamide
CID 55152154
2-(2-aminoethyl)-N-(2-carbamoylcyclohexyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120635817
2-[[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]cyclooctane-1-carboxylic acid
CID 120532910
5,6-bis(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]pyrazine-2-carboxamide
CID 11385186
N-[(1R,2R)-2-carbamoylcyclopentyl]-2-fluoropyridine-4-carboxamide
CID 97084906
5-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclohexyl)pyridine-2-carboxamide
CID 77005250
5-bromo-N-(2-chlorocycloheptyl)pyridine-2-carboxamide
CID 113395079
N-(2-aminocycloheptyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909182

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-carbamoylcyclohexyl]-5-chloropyridine-2-carboxamide?
The IUPAC name of N-[(1S,2S)-2-carbamoylcyclohexyl]-5-chloropyridine-2-carboxamide (CID 96528381) is N-[(1S,2S)-2-carbamoylcyclohexyl]-5-chloropyridine-2-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-carbamoylcyclohexyl]-5-chloropyridine-2-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-carbamoylcyclohexyl]-5-chloropyridine-2-carboxamide is NC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)cn1.
What is the InChIKey of N-[(1S,2S)-2-carbamoylcyclohexyl]-5-chloropyridine-2-carboxamide?
The InChIKey is YIUHCSDOUTWXQU-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c14-8-5-6-11(16-7-8)13(19)17-10-4-2-1-3-9(10)12(15)18/h5-7,9-10H,1-4H2,(H2,15,18)(H,17,19)/t9-,10-/m0/s1.
What are the key properties of N-[(1S,2S)-2-carbamoylcyclohexyl]-5-chloropyridine-2-carboxamide?
N-[(1S,2S)-2-carbamoylcyclohexyl]-5-chloropyridine-2-carboxamide has a molecular weight of 281.74 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-carbamoylcyclohexyl]-5-chloropyridine-2-carboxamide is sourced from PubChem (CID 96528381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).