3-amino-N-[[3-(2-methylpropyl)cyclohexyl]methyl]pyridine-2-carboxamide

C17H27N3O — CID 143144334

IUPAC3-amino-N-[[3-(2-methylpropyl)cyclohexyl]methyl]pyridine-2-carboxamide
SMILESCC(C)CC1CCCC(CNC(=O)c2ncccc2N)C1
InChIInChI=1S/C17H27N3O/c1-12(2)9-13-5-3-6-14(10-13)11-20-17(21)16-15(18)7-4-8-19-16/h4,7-8,12-14H,3,5-6,9-11,18H2,1-2H3,(H,20,21)
InChIKeyWUJGOCORZDICKD-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.25
Rot. Bonds5

About 3-amino-N-[[3-(2-methylpropyl)cyclohexyl]methyl]pyridine-2-carboxamide

3-amino-N-[[3-(2-methylpropyl)cyclohexyl]methyl]pyridine-2-carboxamide (PubChem CID 143144334) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-amino-N-[[3-(2-methylpropyl)cyclohexyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[3-(2-methylpropyl)cyclohexyl]methyl]pyridine-2-carboxamide
PubChem CID143144334
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-amino-N-[[3-(2-methylpropyl)cyclohexyl]methyl]pyridine-2-carboxamide
SMILESCC(C)CC1CCCC(CNC(=O)c2ncccc2N)C1
InChIInChI=1S/C17H27N3O/c1-12(2)9-13-5-3-6-14(10-13)11-20-17(21)16-15(18)7-4-8-19-16/h4,7-8,12-14H,3,5-6,9-11,18H2,1-2H3,(H,20,21)
InChIKeyWUJGOCORZDICKD-UHFFFAOYSA-N
XLogP3.25
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
CID 106135008
3-amino-N-(cyclopropylmethyl)pyridine-2-carboxamide
CID 104740792
3-amino-N-[(1-methylpiperidin-2-yl)methyl]pyridine-2-carboxamide
CID 113447691
N-(cyclopropylmethyl)-3-propan-2-ylpyridine-2-carboxamide
CID 170671139
1-(3-amino-2-pyridinyl)-2-cyclobutylethanone
CID 116613726
3-amino-N-(cyclobutylmethyl)pyrazine-2-carboxamide
CID 38654065
N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-3-methylpyrazine-2-carboxamide
CID 138035484
(E)-3-[2-(cyclobutylmethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid
CID 107525658
3-hydroxy-N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyridine-2-carboxamide
CID 95226078
2-cyclobutylethyl 3-aminopyridine-2-carboxylate
CID 106202957
3-amino-N-(2-phenylpropyl)pyridine-2-carboxamide
CID 104742039
N-[[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]methyl]acetamide
CID 102736180

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[3-(2-methylpropyl)cyclohexyl]methyl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[[3-(2-methylpropyl)cyclohexyl]methyl]pyridine-2-carboxamide (CID 143144334) is 3-amino-N-[[3-(2-methylpropyl)cyclohexyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[[3-(2-methylpropyl)cyclohexyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[[3-(2-methylpropyl)cyclohexyl]methyl]pyridine-2-carboxamide is CC(C)CC1CCCC(CNC(=O)c2ncccc2N)C1.
What is the InChIKey of 3-amino-N-[[3-(2-methylpropyl)cyclohexyl]methyl]pyridine-2-carboxamide?
The InChIKey is WUJGOCORZDICKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12(2)9-13-5-3-6-14(10-13)11-20-17(21)16-15(18)7-4-8-19-16/h4,7-8,12-14H,3,5-6,9-11,18H2,1-2H3,(H,20,21).
What are the key properties of 3-amino-N-[[3-(2-methylpropyl)cyclohexyl]methyl]pyridine-2-carboxamide?
3-amino-N-[[3-(2-methylpropyl)cyclohexyl]methyl]pyridine-2-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[3-(2-methylpropyl)cyclohexyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 143144334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).