N-methyl-N-[4-(methylamino)cyclohexyl]pyridine-3-carboxamide

C14H21N3O — CID 79122394

IUPACN-methyl-N-[4-(methylamino)cyclohexyl]pyridine-3-carboxamide
SMILESCNC1CCC(N(C)C(=O)c2cccnc2)CC1
InChIInChI=1S/C14H21N3O/c1-15-12-5-7-13(8-6-12)17(2)14(18)11-4-3-9-16-10-11/h3-4,9-10,12-13,15H,5-8H2,1-2H3
InChIKeyXJMZBLVVFCKPQO-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.68
Rot. Bonds3

About N-methyl-N-[4-(methylamino)cyclohexyl]pyridine-3-carboxamide

N-methyl-N-[4-(methylamino)cyclohexyl]pyridine-3-carboxamide (PubChem CID 79122394) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-methyl-N-[4-(methylamino)cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[4-(methylamino)cyclohexyl]pyridine-3-carboxamide
PubChem CID79122394
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-methyl-N-[4-(methylamino)cyclohexyl]pyridine-3-carboxamide
SMILESCNC1CCC(N(C)C(=O)c2cccnc2)CC1
InChIInChI=1S/C14H21N3O/c1-15-12-5-7-13(8-6-12)17(2)14(18)11-4-3-9-16-10-11/h3-4,9-10,12-13,15H,5-8H2,1-2H3
InChIKeyXJMZBLVVFCKPQO-UHFFFAOYSA-N
XLogP1.68
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[4-(propylamino)cyclohexyl]pyridine-3-carboxamide
CID 79122946
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylpyridine-3-carboxamide
CID 79111832
3-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110686
N-[6-(cyclopropylamino)-3-pyridinyl]-N-methylpyridine-3-carboxamide
CID 115268669
N,N-dimethylpyridine-3-carboxamide;ethane
CID 142562125
N,N-dimethylpyridine-3-carboxamide;hydrogen peroxide
CID 174921681
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylpyridine-3-carboxamide
CID 110125246
3-chloro-4-hydroxy-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110979
N-(1-adamantyl)-N-methylpyridine-3-carboxamide
CID 2971348
N-methyl-N-[4-(propylamino)cyclohexyl]pyridine-4-carboxamide
CID 79122871
N-cyclopropyl-5-hydroxy-N-methylpyridine-3-carboxamide
CID 63865500
N-methyl-N-[4-(methylamino)cyclohexyl]-1H-indole-5-carboxamide
CID 79117939

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(methylamino)cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of N-methyl-N-[4-(methylamino)cyclohexyl]pyridine-3-carboxamide (CID 79122394) is N-methyl-N-[4-(methylamino)cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[4-(methylamino)cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-N-[4-(methylamino)cyclohexyl]pyridine-3-carboxamide is CNC1CCC(N(C)C(=O)c2cccnc2)CC1.
What is the InChIKey of N-methyl-N-[4-(methylamino)cyclohexyl]pyridine-3-carboxamide?
The InChIKey is XJMZBLVVFCKPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-15-12-5-7-13(8-6-12)17(2)14(18)11-4-3-9-16-10-11/h3-4,9-10,12-13,15H,5-8H2,1-2H3.
What are the key properties of N-methyl-N-[4-(methylamino)cyclohexyl]pyridine-3-carboxamide?
N-methyl-N-[4-(methylamino)cyclohexyl]pyridine-3-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(methylamino)cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 79122394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).