6-(dimethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]pyridine-3-carboxamide

C16H25N3O2 — CID 62526158

IUPAC6-(dimethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]pyridine-3-carboxamide
SMILESCC1CCCC(CO)(NC(=O)c2ccc(N(C)C)nc2)C1
InChIInChI=1S/C16H25N3O2/c1-12-5-4-8-16(9-12,11-20)18-15(21)13-6-7-14(17-10-13)19(2)3/h6-7,10,12,20H,4-5,8-9,11H2,1-3H3,(H,18,21)
InChIKeyQVIHNLMRAOFLDT-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.82
Rot. Bonds4

About 6-(dimethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]pyridine-3-carboxamide

6-(dimethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]pyridine-3-carboxamide (PubChem CID 62526158) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 6-(dimethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(dimethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]pyridine-3-carboxamide
PubChem CID62526158
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name6-(dimethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]pyridine-3-carboxamide
SMILESCC1CCCC(CO)(NC(=O)c2ccc(N(C)C)nc2)C1
InChIInChI=1S/C16H25N3O2/c1-12-5-4-8-16(9-12,11-20)18-15(21)13-6-7-14(17-10-13)19(2)3/h6-7,10,12,20H,4-5,8-9,11H2,1-3H3,(H,18,21)
InChIKeyQVIHNLMRAOFLDT-UHFFFAOYSA-N
XLogP1.82
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-oxo-1H-pyridine-3-carboxamide
CID 62525635
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methoxybenzamide
CID 62527012
3-ethyl-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide
CID 62527564
3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide
CID 80641116
2,6-dihydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 107690075
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-1,3-thiazole-4-carboxamide
CID 63022352
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-iodobenzamide
CID 62526843
1-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 43169367
N-cycloheptyl-6-(dimethylamino)pyridine-3-carboxamide
CID 39400820
N-cyclooctyl-6-(dimethylamino)pyridine-3-carboxamide
CID 39400603
6-(dimethylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 80707921
5-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide
CID 62527720

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 6-(dimethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]pyridine-3-carboxamide (CID 62526158) is 6-(dimethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(dimethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(dimethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]pyridine-3-carboxamide is CC1CCCC(CO)(NC(=O)c2ccc(N(C)C)nc2)C1.
What is the InChIKey of 6-(dimethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]pyridine-3-carboxamide?
The InChIKey is QVIHNLMRAOFLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-5-4-8-16(9-12,11-20)18-15(21)13-6-7-14(17-10-13)19(2)3/h6-7,10,12,20H,4-5,8-9,11H2,1-3H3,(H,18,21).
What are the key properties of 6-(dimethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]pyridine-3-carboxamide?
6-(dimethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]pyridine-3-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 62526158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).