N-(cyclohexylmethyl)-N-[2-(dimethylamino)ethyl]-1-methyl-6-oxopyridine-3-carboxamide

C18H29N3O2 — CID 56822562

IUPACN-(cyclohexylmethyl)-N-[2-(dimethylamino)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCN(C)CCN(CC1CCCCC1)C(=O)c1ccc(=O)n(C)c1
InChIInChI=1S/C18H29N3O2/c1-19(2)11-12-21(13-15-7-5-4-6-8-15)18(23)16-9-10-17(22)20(3)14-16/h9-10,14-15H,4-8,11-13H2,1-3H3
InChIKeyQNKMRQMBWCLBGC-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.97
Rot. Bonds6

About N-(cyclohexylmethyl)-N-[2-(dimethylamino)ethyl]-1-methyl-6-oxopyridine-3-carboxamide

N-(cyclohexylmethyl)-N-[2-(dimethylamino)ethyl]-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 56822562) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-[2-(dimethylamino)ethyl]-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-[2-(dimethylamino)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID56822562
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-(cyclohexylmethyl)-N-[2-(dimethylamino)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCN(C)CCN(CC1CCCCC1)C(=O)c1ccc(=O)n(C)c1
InChIInChI=1S/C18H29N3O2/c1-19(2)11-12-21(13-15-7-5-4-6-8-15)18(23)16-9-10-17(22)20(3)14-16/h9-10,14-15H,4-8,11-13H2,1-3H3
InChIKeyQNKMRQMBWCLBGC-UHFFFAOYSA-N
XLogP1.97
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclohexylmethyl)-N-[2-(dimethylamino)ethyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 60585979
N-(2,4-dioxocyclohexyl)-N,1-dimethyl-6-oxopyridine-3-carboxamide
CID 161271952
N-(cyclohexylmethyl)-N-[2-(dimethylamino)ethyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 60586046
1-(cyclohexylmethyl)-1-[2-(dimethylamino)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 47075746
N,1-dimethyl-6-oxo-N-(2-phenylethyl)pyridine-3-carboxamide
CID 75461380
N-(2-cyclohexyloxyethyl)-1-methyl-6-oxopyridine-3-carboxamide
CID 75462004
N-(cyclohexylmethyl)-N-ethyl-4-(3-hydroxy-3-methylbut-1-ynyl)benzamide
CID 131926420
N,1-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide
CID 70750510
N-[2-(dimethylamino)ethyl]-N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-4-methylbenzamide
CID 23723838
N-(cyclohexylmethyl)-4-hydroxy-N-methylbenzamide
CID 54948596
4-chloro-N-[2-(dimethylamino)ethyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95282674
(E)-N-(cyclohexylmethyl)-N-[2-(dimethylamino)ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 60586113

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-[2-(dimethylamino)ethyl]-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-N-[2-(dimethylamino)ethyl]-1-methyl-6-oxopyridine-3-carboxamide (CID 56822562) is N-(cyclohexylmethyl)-N-[2-(dimethylamino)ethyl]-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-N-[2-(dimethylamino)ethyl]-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-N-[2-(dimethylamino)ethyl]-1-methyl-6-oxopyridine-3-carboxamide is CN(C)CCN(CC1CCCCC1)C(=O)c1ccc(=O)n(C)c1.
What is the InChIKey of N-(cyclohexylmethyl)-N-[2-(dimethylamino)ethyl]-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is QNKMRQMBWCLBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-19(2)11-12-21(13-15-7-5-4-6-8-15)18(23)16-9-10-17(22)20(3)14-16/h9-10,14-15H,4-8,11-13H2,1-3H3.
What are the key properties of N-(cyclohexylmethyl)-N-[2-(dimethylamino)ethyl]-1-methyl-6-oxopyridine-3-carboxamide?
N-(cyclohexylmethyl)-N-[2-(dimethylamino)ethyl]-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 1.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-[2-(dimethylamino)ethyl]-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 56822562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).