(2-amino-5-chloro-3-pyridinyl)-(1-methoxy-4-methylcyclohexyl)methanone

C14H19ClN2O2 — CID 116749240

IUPAC(2-amino-5-chloro-3-pyridinyl)-(1-methoxy-4-methylcyclohexyl)methanone
SMILESCOC1(C(=O)c2cc(Cl)cnc2N)CCC(C)CC1
InChIInChI=1S/C14H19ClN2O2/c1-9-3-5-14(19-2,6-4-9)12(18)11-7-10(15)8-17-13(11)16/h7-9H,3-6H2,1-2H3,(H2,16,17)
InChIKeyPAACNHRWCGPYJP-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.10
Rot. Bonds3

About (2-amino-5-chloro-3-pyridinyl)-(1-methoxy-4-methylcyclohexyl)methanone

(2-amino-5-chloro-3-pyridinyl)-(1-methoxy-4-methylcyclohexyl)methanone (PubChem CID 116749240) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is (2-amino-5-chloro-3-pyridinyl)-(1-methoxy-4-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(2-amino-5-chloro-3-pyridinyl)-(1-methoxy-4-methylcyclohexyl)methanone
PubChem CID116749240
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name(2-amino-5-chloro-3-pyridinyl)-(1-methoxy-4-methylcyclohexyl)methanone
SMILESCOC1(C(=O)c2cc(Cl)cnc2N)CCC(C)CC1
InChIInChI=1S/C14H19ClN2O2/c1-9-3-5-14(19-2,6-4-9)12(18)11-7-10(15)8-17-13(11)16/h7-9H,3-6H2,1-2H3,(H2,16,17)
InChIKeyPAACNHRWCGPYJP-UHFFFAOYSA-N
XLogP3.10
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-amino-5-chloro-3-pyridinyl)-(1-methoxy-4-methylcyclohexyl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-chloro-3-pyridinyl)-(1-methoxy-4-methylcyclohexyl)methanone?
The IUPAC name of (2-amino-5-chloro-3-pyridinyl)-(1-methoxy-4-methylcyclohexyl)methanone (CID 116749240) is (2-amino-5-chloro-3-pyridinyl)-(1-methoxy-4-methylcyclohexyl)methanone.
What is the SMILES notation for (2-amino-5-chloro-3-pyridinyl)-(1-methoxy-4-methylcyclohexyl)methanone?
The canonical SMILES for (2-amino-5-chloro-3-pyridinyl)-(1-methoxy-4-methylcyclohexyl)methanone is COC1(C(=O)c2cc(Cl)cnc2N)CCC(C)CC1.
What is the InChIKey of (2-amino-5-chloro-3-pyridinyl)-(1-methoxy-4-methylcyclohexyl)methanone?
The InChIKey is PAACNHRWCGPYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-9-3-5-14(19-2,6-4-9)12(18)11-7-10(15)8-17-13(11)16/h7-9H,3-6H2,1-2H3,(H2,16,17).
What are the key properties of (2-amino-5-chloro-3-pyridinyl)-(1-methoxy-4-methylcyclohexyl)methanone?
(2-amino-5-chloro-3-pyridinyl)-(1-methoxy-4-methylcyclohexyl)methanone has a molecular weight of 282.77 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-chloro-3-pyridinyl)-(1-methoxy-4-methylcyclohexyl)methanone is sourced from PubChem (CID 116749240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).