1-(1-amino-3-methylcyclohexyl)-2-(3-chloro-4-pyridinyl)ethanone

C14H19ClN2O — CID 116579224

IUPAC1-(1-amino-3-methylcyclohexyl)-2-(3-chloro-4-pyridinyl)ethanone
SMILESCC1CCCC(N)(C(=O)Cc2ccncc2Cl)C1
InChIInChI=1S/C14H19ClN2O/c1-10-3-2-5-14(16,8-10)13(18)7-11-4-6-17-9-12(11)15/h4,6,9-10H,2-3,5,7-8,16H2,1H3
InChIKeyOGVHADCJSNBREQ-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.75
Rot. Bonds3

About 1-(1-amino-3-methylcyclohexyl)-2-(3-chloro-4-pyridinyl)ethanone

1-(1-amino-3-methylcyclohexyl)-2-(3-chloro-4-pyridinyl)ethanone (PubChem CID 116579224) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 1-(1-amino-3-methylcyclohexyl)-2-(3-chloro-4-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(1-amino-3-methylcyclohexyl)-2-(3-chloro-4-pyridinyl)ethanone
PubChem CID116579224
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name1-(1-amino-3-methylcyclohexyl)-2-(3-chloro-4-pyridinyl)ethanone
SMILESCC1CCCC(N)(C(=O)Cc2ccncc2Cl)C1
InChIInChI=1S/C14H19ClN2O/c1-10-3-2-5-14(16,8-10)13(18)7-11-4-6-17-9-12(11)15/h4,6,9-10H,2-3,5,7-8,16H2,1H3
InChIKeyOGVHADCJSNBREQ-UHFFFAOYSA-N
XLogP2.75
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-amino-3-methylcyclohexyl)-2-pyridin-4-ylethanone
CID 116579429
2-(3-chloro-4-pyridinyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 103450636
2-(3-chloro-4-pyridinyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone
CID 116750292
2-(3-chloro-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanone
CID 79070162
1-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 64551039
[2-(3-chloro-4-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)ethyl]hydrazine
CID 105277526
1-(1-amino-3-methylcyclohexyl)-2-cyclopropylethanone
CID 116579394
1-amino-N-(5-chloro-2-pyridinyl)-3-methylcyclohexane-1-carboxamide
CID 64550053
1-(1-aminocyclopentyl)-2-(4-amino-3-pyridinyl)ethanone
CID 116558765
N-[1-(chloromethyl)-3-methylcyclohexyl]-3-hydroxypyridine-4-carboxamide
CID 114304004
2-[5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-pyridinyl]acetic acid
CID 107341108
cis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide
CID 93311266

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-3-methylcyclohexyl)-2-(3-chloro-4-pyridinyl)ethanone?
The IUPAC name of 1-(1-amino-3-methylcyclohexyl)-2-(3-chloro-4-pyridinyl)ethanone (CID 116579224) is 1-(1-amino-3-methylcyclohexyl)-2-(3-chloro-4-pyridinyl)ethanone.
What is the SMILES notation for 1-(1-amino-3-methylcyclohexyl)-2-(3-chloro-4-pyridinyl)ethanone?
The canonical SMILES for 1-(1-amino-3-methylcyclohexyl)-2-(3-chloro-4-pyridinyl)ethanone is CC1CCCC(N)(C(=O)Cc2ccncc2Cl)C1.
What is the InChIKey of 1-(1-amino-3-methylcyclohexyl)-2-(3-chloro-4-pyridinyl)ethanone?
The InChIKey is OGVHADCJSNBREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10-3-2-5-14(16,8-10)13(18)7-11-4-6-17-9-12(11)15/h4,6,9-10H,2-3,5,7-8,16H2,1H3.
What are the key properties of 1-(1-amino-3-methylcyclohexyl)-2-(3-chloro-4-pyridinyl)ethanone?
1-(1-amino-3-methylcyclohexyl)-2-(3-chloro-4-pyridinyl)ethanone has a molecular weight of 266.77 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-3-methylcyclohexyl)-2-(3-chloro-4-pyridinyl)ethanone is sourced from PubChem (CID 116579224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).