2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide

C15H23N3O — CID 81404734

IUPAC2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide
SMILESC[C@@H](NC(=O)C1CCCCC1CN)c1cccnc1
InChIInChI=1S/C15H23N3O/c1-11(13-6-4-8-17-10-13)18-15(19)14-7-3-2-5-12(14)9-16/h4,6,8,10-12,14H,2-3,5,7,9,16H2,1H3,(H,18,19)/t11-,12?,14?/m1/s1
InChIKeyBNFPFQNKEXEKBS-LKSINWNRSA-N
MW261.37 g/mol
LogP2.02
Rot. Bonds4

About 2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide

2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide (PubChem CID 81404734) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide
PubChem CID81404734
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide
SMILESC[C@@H](NC(=O)C1CCCCC1CN)c1cccnc1
InChIInChI=1S/C15H23N3O/c1-11(13-6-4-8-17-10-13)18-15(19)14-7-3-2-5-12(14)9-16/h4,6,8,10-12,14H,2-3,5,7,9,16H2,1H3,(H,18,19)/t11-,12?,14?/m1/s1
InChIKeyBNFPFQNKEXEKBS-LKSINWNRSA-N
XLogP2.02
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-[(1R)-1-phenylethyl]cyclopentane-1-carboxamide
CID 79025906
2-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 81360383
(2S,5R)-5-(aminomethyl)-N-[(1S)-1-pyridin-3-ylethyl]oxolane-2-carboxamide
CID 120799038
2-(1-pyridin-3-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 54918472
4-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide
CID 81404724
cis-(1R,3S)-3-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124674627
2-(cyclopentylamino)-N-[(1R)-1-pyridin-3-ylethyl]acetamide
CID 81404213
4-methyl-2-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 104919786
(2R)-N-(1-pyridin-3-ylethyl)piperidine-2-carboxamide;hydrochloride
CID 119998811
2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 81390427
3-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119863798
5-oxo-N-(1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide
CID 110743910

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide (CID 81404734) is 2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide is C[C@@H](NC(=O)C1CCCCC1CN)c1cccnc1.
What is the InChIKey of 2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide?
The InChIKey is BNFPFQNKEXEKBS-LKSINWNRSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(13-6-4-8-17-10-13)18-15(19)14-7-3-2-5-12(14)9-16/h4,6,8,10-12,14H,2-3,5,7,9,16H2,1H3,(H,18,19)/t11-,12?,14?/m1/s1.
What are the key properties of 2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide?
2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 81404734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).