N-[(3-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide

C14H20N2O2 — CID 103691279

IUPACN-[(3-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC2CCCC(O)C2)cn1
InChIInChI=1S/C14H20N2O2/c1-10-5-6-12(9-15-10)14(18)16-8-11-3-2-4-13(17)7-11/h5-6,9,11,13,17H,2-4,7-8H2,1H3,(H,16,18)
InChIKeyZJMUQMZUNDEKDA-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.67
Rot. Bonds3

About N-[(3-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide

N-[(3-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide (PubChem CID 103691279) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide
PubChem CID103691279
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC2CCCC(O)C2)cn1
InChIInChI=1S/C14H20N2O2/c1-10-5-6-12(9-15-10)14(18)16-8-11-3-2-4-13(17)7-11/h5-6,9,11,13,17H,2-4,7-8H2,1H3,(H,16,18)
InChIKeyZJMUQMZUNDEKDA-UHFFFAOYSA-N
XLogP1.67
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(dimethylamino)-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
CID 103690739
N-[(3-chlorocyclopentyl)methyl]-6-methylpyridine-3-carboxamide
CID 106127191
4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103691136
N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 103691139
6-bromo-N-[(3-hydroxycyclopentyl)methyl]pyridine-3-carboxamide
CID 103279982
3,4-dihydroxy-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103957239
2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
CID 103691065
5-(cyclobutylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43427412
3-acetamido-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 111460374
N-[(3-hydroxycyclohexyl)methyl]naphthalene-2-carboxamide
CID 103690977
2-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 103690727
3-amino-N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
CID 106135008

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide (CID 103691279) is N-[(3-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NCC2CCCC(O)C2)cn1.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide?
The InChIKey is ZJMUQMZUNDEKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-5-6-12(9-15-10)14(18)16-8-11-3-2-4-13(17)7-11/h5-6,9,11,13,17H,2-4,7-8H2,1H3,(H,16,18).
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide?
N-[(3-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 103691279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).