N-[(1S,2S)-2-ethoxycyclohexyl]-4-oxo-1H-pyridine-2-carboxamide

C14H20N2O3 — CID 164629335

IUPACN-[(1S,2S)-2-ethoxycyclohexyl]-4-oxo-1H-pyridine-2-carboxamide
SMILESCCO[C@H]1CCCC[C@@H]1NC(=O)c1cc(=O)cc[nH]1
InChIInChI=1S/C14H20N2O3/c1-2-19-13-6-4-3-5-11(13)16-14(18)12-9-10(17)7-8-15-12/h7-9,11,13H,2-6H2,1H3,(H,15,17)(H,16,18)/t11-,13-/m0/s1
InChIKeyZDFIQMFAFCYWAE-AAEUAGOBSA-N
MW264.32 g/mol
LogP1.45
Rot. Bonds4

About N-[(1S,2S)-2-ethoxycyclohexyl]-4-oxo-1H-pyridine-2-carboxamide

N-[(1S,2S)-2-ethoxycyclohexyl]-4-oxo-1H-pyridine-2-carboxamide (PubChem CID 164629335) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[(1S,2S)-2-ethoxycyclohexyl]-4-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-ethoxycyclohexyl]-4-oxo-1H-pyridine-2-carboxamide
PubChem CID164629335
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[(1S,2S)-2-ethoxycyclohexyl]-4-oxo-1H-pyridine-2-carboxamide
SMILESCCO[C@H]1CCCC[C@@H]1NC(=O)c1cc(=O)cc[nH]1
InChIInChI=1S/C14H20N2O3/c1-2-19-13-6-4-3-5-11(13)16-14(18)12-9-10(17)7-8-15-12/h7-9,11,13H,2-6H2,1H3,(H,15,17)(H,16,18)/t11-,13-/m0/s1
InChIKeyZDFIQMFAFCYWAE-AAEUAGOBSA-N
XLogP1.45
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R)-2-ethoxycyclopentyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 126454795
6-methyl-N-[2-(3-methylbutoxy)cyclohexyl]-4-oxo-1H-pyridine-3-carboxamide
CID 84590891
N-(2-methoxycyclopentyl)-1H-indole-5-carboxamide
CID 55236061
N-[(1S,2S)-2-methylcyclopentyl]-1H-pyrrole-2-carboxamide
CID 59304520
N-(2-ethylcyclohexyl)-6-oxo-1H-pyridine-2-carboxamide
CID 114040337
ethoxycarbonyl 4-oxo-1H-pyridine-2-carboxylate
CID 174252831
2-(N-cyclopropyl-C-methylcarbonimidoyl)-1H-pyridin-4-one
CID 90806315
(3S,4R)-4-[(4-chloro-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-ethoxypiperidine-1-carboxylic acid
CID 68519055
N-[(1S,2S)-2-(3-methylbutoxy)cyclohexyl]-3-(propanoylamino)benzamide
CID 97095254
trans-(1R,2R)-1,2-diethoxycyclohexane
CID 13170081
N-[(2S)-2-ethoxycyclohexyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 67073989
5-methoxy-4-oxo-N-(4-phenylmethoxyoxan-3-yl)-1H-pyridine-2-carboxamide
CID 156609001

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-ethoxycyclohexyl]-4-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[(1S,2S)-2-ethoxycyclohexyl]-4-oxo-1H-pyridine-2-carboxamide (CID 164629335) is N-[(1S,2S)-2-ethoxycyclohexyl]-4-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-ethoxycyclohexyl]-4-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-ethoxycyclohexyl]-4-oxo-1H-pyridine-2-carboxamide is CCO[C@H]1CCCC[C@@H]1NC(=O)c1cc(=O)cc[nH]1.
What is the InChIKey of N-[(1S,2S)-2-ethoxycyclohexyl]-4-oxo-1H-pyridine-2-carboxamide?
The InChIKey is ZDFIQMFAFCYWAE-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-19-13-6-4-3-5-11(13)16-14(18)12-9-10(17)7-8-15-12/h7-9,11,13H,2-6H2,1H3,(H,15,17)(H,16,18)/t11-,13-/m0/s1.
What are the key properties of N-[(1S,2S)-2-ethoxycyclohexyl]-4-oxo-1H-pyridine-2-carboxamide?
N-[(1S,2S)-2-ethoxycyclohexyl]-4-oxo-1H-pyridine-2-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-ethoxycyclohexyl]-4-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 164629335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).