(1R,2R,4S)-4-amino-2-methyl-N-pyridin-4-ylcyclohexane-1-carboxamide

C13H19N3O — CID 18644147

IUPAC(1R,2R,4S)-4-amino-2-methyl-N-pyridin-4-ylcyclohexane-1-carboxamide
SMILESC[C@@H]1C[C@@H](N)CC[C@H]1C(=O)Nc1ccncc1
InChIInChI=1S/C13H19N3O/c1-9-8-10(14)2-3-12(9)13(17)16-11-4-6-15-7-5-11/h4-7,9-10,12H,2-3,8,14H2,1H3,(H,15,16,17)/t9-,10+,12-/m1/s1
InChIKeyLRDGQQNCFDDJRY-JFGNBEQYSA-N
MW233.31 g/mol
LogP1.78
Rot. Bonds2

About (1R,2R,4S)-4-amino-2-methyl-N-pyridin-4-ylcyclohexane-1-carboxamide

(1R,2R,4S)-4-amino-2-methyl-N-pyridin-4-ylcyclohexane-1-carboxamide (PubChem CID 18644147) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (1R,2R,4S)-4-amino-2-methyl-N-pyridin-4-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1R,2R,4S)-4-amino-2-methyl-N-pyridin-4-ylcyclohexane-1-carboxamide
PubChem CID18644147
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(1R,2R,4S)-4-amino-2-methyl-N-pyridin-4-ylcyclohexane-1-carboxamide
SMILESC[C@@H]1C[C@@H](N)CC[C@H]1C(=O)Nc1ccncc1
InChIInChI=1S/C13H19N3O/c1-9-8-10(14)2-3-12(9)13(17)16-11-4-6-15-7-5-11/h4-7,9-10,12H,2-3,8,14H2,1H3,(H,15,16,17)/t9-,10+,12-/m1/s1
InChIKeyLRDGQQNCFDDJRY-JFGNBEQYSA-N
XLogP1.78
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,2R,4S)-4-amino-2-methyl-N-pyridin-4-ylcyclohexane-1-carboxamide with MolForge

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Related Compounds

(1S,2R,4S)-4-(aminomethyl)-2-methyl-N-pyridin-4-ylcyclohexane-1-carboxamide;hydrate;dihydrochloride
CID 24837033
2-methyl-N-pyridin-4-ylcyclopropane-1-carboxamide
CID 45352995
cis-(1R,2S)-2-(pyridin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93346846
2-hydroxy-N-pyridin-4-ylcyclopentane-1-carboxamide
CID 110013769
4-amino-2,2,3-trimethyl-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 102628272
4-acetyl-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 170566312
2,2,6-trimethyl-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 138572207
N-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 134009742
N-pyridin-4-yloxetane-2-carboxamide
CID 130979378
N-pyridin-4-ylazetidine-2-carboxamide
CID 130908968
trans-(1R,2R)-2-methyl-N-pyridin-3-ylcyclopropane-1-carboxamide
CID 131159605
3-amino-N-(4-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670946

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-4-amino-2-methyl-N-pyridin-4-ylcyclohexane-1-carboxamide?
The IUPAC name of (1R,2R,4S)-4-amino-2-methyl-N-pyridin-4-ylcyclohexane-1-carboxamide (CID 18644147) is (1R,2R,4S)-4-amino-2-methyl-N-pyridin-4-ylcyclohexane-1-carboxamide.
What is the SMILES notation for (1R,2R,4S)-4-amino-2-methyl-N-pyridin-4-ylcyclohexane-1-carboxamide?
The canonical SMILES for (1R,2R,4S)-4-amino-2-methyl-N-pyridin-4-ylcyclohexane-1-carboxamide is C[C@@H]1C[C@@H](N)CC[C@H]1C(=O)Nc1ccncc1.
What is the InChIKey of (1R,2R,4S)-4-amino-2-methyl-N-pyridin-4-ylcyclohexane-1-carboxamide?
The InChIKey is LRDGQQNCFDDJRY-JFGNBEQYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-8-10(14)2-3-12(9)13(17)16-11-4-6-15-7-5-11/h4-7,9-10,12H,2-3,8,14H2,1H3,(H,15,16,17)/t9-,10+,12-/m1/s1.
What are the key properties of (1R,2R,4S)-4-amino-2-methyl-N-pyridin-4-ylcyclohexane-1-carboxamide?
(1R,2R,4S)-4-amino-2-methyl-N-pyridin-4-ylcyclohexane-1-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-4-amino-2-methyl-N-pyridin-4-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 18644147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).