1-(aminomethyl)-4-methyl-N-pyridin-2-ylcyclohexane-1-carboxamide

C14H21N3O — CID 113310422

IUPAC1-(aminomethyl)-4-methyl-N-pyridin-2-ylcyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)Nc2ccccn2)CC1
InChIInChI=1S/C14H21N3O/c1-11-5-7-14(10-15,8-6-11)13(18)17-12-4-2-3-9-16-12/h2-4,9,11H,5-8,10,15H2,1H3,(H,16,17,18)
InChIKeyWWDPEHVZUDPSRD-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.18
Rot. Bonds3

About 1-(aminomethyl)-4-methyl-N-pyridin-2-ylcyclohexane-1-carboxamide

1-(aminomethyl)-4-methyl-N-pyridin-2-ylcyclohexane-1-carboxamide (PubChem CID 113310422) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(aminomethyl)-4-methyl-N-pyridin-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-4-methyl-N-pyridin-2-ylcyclohexane-1-carboxamide
PubChem CID113310422
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-(aminomethyl)-4-methyl-N-pyridin-2-ylcyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)Nc2ccccn2)CC1
InChIInChI=1S/C14H21N3O/c1-11-5-7-14(10-15,8-6-11)13(18)17-12-4-2-3-9-16-12/h2-4,9,11H,5-8,10,15H2,1H3,(H,16,17,18)
InChIKeyWWDPEHVZUDPSRD-UHFFFAOYSA-N
XLogP2.18
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(hydroxymethyl)-N-pyridin-2-ylcyclopropane-1-carboxamide
CID 115182071
4-amino-1-prop-2-enyl-N-pyridin-2-ylcyclohexane-1-carboxamide
CID 67135389
1-(aminomethyl)-N-(1H-benzimidazol-2-yl)-4-methylcyclohexane-1-carboxamide
CID 115442160
1-(aminomethyl)-N-(3-fluoro-2-methylphenyl)-4-methylcyclohexane-1-carboxamide
CID 115441999
1-(aminomethyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylcyclohexane-1-carboxamide
CID 115441970
1-(pyridin-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095693
1-(aminomethyl)-N-[4-(dimethylamino)phenyl]-4-methylcyclohexane-1-carboxamide
CID 115441564
[1-(aminomethyl)-4-methylcyclohexyl]-(2-amino-3-pyridinyl)methanone
CID 116604231
1-(aminomethyl)-4-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 115441427
1-(aminomethyl)-N-(3,5-difluorophenyl)-4-methylcyclohexane-1-carboxamide
CID 115441375
1-(aminomethyl)-N-(4-cyanophenyl)-4-methylcyclohexane-1-carboxamide
CID 115441362
1-(aminomethyl)-4-methyl-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide
CID 115441440

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-methyl-N-pyridin-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-4-methyl-N-pyridin-2-ylcyclohexane-1-carboxamide (CID 113310422) is 1-(aminomethyl)-4-methyl-N-pyridin-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-4-methyl-N-pyridin-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-4-methyl-N-pyridin-2-ylcyclohexane-1-carboxamide is CC1CCC(CN)(C(=O)Nc2ccccn2)CC1.
What is the InChIKey of 1-(aminomethyl)-4-methyl-N-pyridin-2-ylcyclohexane-1-carboxamide?
The InChIKey is WWDPEHVZUDPSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-5-7-14(10-15,8-6-11)13(18)17-12-4-2-3-9-16-12/h2-4,9,11H,5-8,10,15H2,1H3,(H,16,17,18).
What are the key properties of 1-(aminomethyl)-4-methyl-N-pyridin-2-ylcyclohexane-1-carboxamide?
1-(aminomethyl)-4-methyl-N-pyridin-2-ylcyclohexane-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-methyl-N-pyridin-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 113310422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).