4-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide

C14H21N3O — CID 81404724

IUPAC4-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide
SMILESC[C@H](NC(=O)C1CCC(N)CC1)c1cccnc1
InChIInChI=1S/C14H21N3O/c1-10(12-3-2-8-16-9-12)17-14(18)11-4-6-13(15)7-5-11/h2-3,8-11,13H,4-7,15H2,1H3,(H,17,18)/t10-,11?,13?/m0/s1
InChIKeyABZCONWJEFFZSE-ZBOXLXRLSA-N
MW247.34 g/mol
LogP1.78
Rot. Bonds3

About 4-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide

4-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide (PubChem CID 81404724) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide
PubChem CID81404724
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide
SMILESC[C@H](NC(=O)C1CCC(N)CC1)c1cccnc1
InChIInChI=1S/C14H21N3O/c1-10(12-3-2-8-16-9-12)17-14(18)11-4-6-13(15)7-5-11/h2-3,8-11,13H,4-7,15H2,1H3,(H,17,18)/t10-,11?,13?/m0/s1
InChIKeyABZCONWJEFFZSE-ZBOXLXRLSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119863798
N-[(1S)-1-pyridin-3-ylethyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 81405077
cis-(1R,3S)-3-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124674627
3-amino-N-[(1S)-1-pyridin-3-ylethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 81404200
(3R)-N-[(1R)-1-pyridin-3-ylethyl]piperidine-3-carboxamide
CID 81404831
N-(1-pyridin-3-ylethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 43066226
4-amino-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1-carboxamide
CID 54913905
4-amino-N-[(1S)-1-(3-bromophenyl)ethyl]cyclohexane-1-carboxamide
CID 81376555
4-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81371570
(2R)-N-(1-pyridin-3-ylethyl)piperidine-2-carboxamide;hydrochloride
CID 119998811
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
2-(1-pyridin-3-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 54918472

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide (CID 81404724) is 4-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide is C[C@H](NC(=O)C1CCC(N)CC1)c1cccnc1.
What is the InChIKey of 4-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide?
The InChIKey is ABZCONWJEFFZSE-ZBOXLXRLSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(12-3-2-8-16-9-12)17-14(18)11-4-6-13(15)7-5-11/h2-3,8-11,13H,4-7,15H2,1H3,(H,17,18)/t10-,11?,13?/m0/s1.
What are the key properties of 4-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide?
4-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 81404724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).