(2-amino-3-pyridinyl)-(1-ethoxy-4-methylcyclohexyl)methanone

C15H22N2O2 — CID 116749351

IUPAC(2-amino-3-pyridinyl)-(1-ethoxy-4-methylcyclohexyl)methanone
SMILESCCOC1(C(=O)c2cccnc2N)CCC(C)CC1
InChIInChI=1S/C15H22N2O2/c1-3-19-15(8-6-11(2)7-9-15)13(18)12-5-4-10-17-14(12)16/h4-5,10-11H,3,6-9H2,1-2H3,(H2,16,17)
InChIKeyVHDRVXIZXBQTJB-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.83
Rot. Bonds4

About (2-amino-3-pyridinyl)-(1-ethoxy-4-methylcyclohexyl)methanone

(2-amino-3-pyridinyl)-(1-ethoxy-4-methylcyclohexyl)methanone (PubChem CID 116749351) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-(1-ethoxy-4-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-(1-ethoxy-4-methylcyclohexyl)methanone
PubChem CID116749351
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2-amino-3-pyridinyl)-(1-ethoxy-4-methylcyclohexyl)methanone
SMILESCCOC1(C(=O)c2cccnc2N)CCC(C)CC1
InChIInChI=1S/C15H22N2O2/c1-3-19-15(8-6-11(2)7-9-15)13(18)12-5-4-10-17-14(12)16/h4-5,10-11H,3,6-9H2,1-2H3,(H2,16,17)
InChIKeyVHDRVXIZXBQTJB-UHFFFAOYSA-N
XLogP2.83
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(aminomethyl)-4-methylcyclohexyl]-(2-amino-3-pyridinyl)methanone
CID 116604231
(2-amino-3-pyridinyl)-(1-methoxycyclohexyl)methanone
CID 116748021
3-[2-amino-2-(1-ethoxy-4-methylcyclohexyl)ethyl]pyridin-2-amine
CID 116767017
(1-ethoxy-4-methylcyclohexyl)-(4-ethylphenyl)methanone
CID 116749465
(1-aminocyclobutyl)-(2-amino-3-pyridinyl)methanone
CID 116598621
(5-chlorothiophen-2-yl)-(1-ethoxy-4-methylcyclohexyl)methanone
CID 116749362
(1-ethoxy-4-methylcyclohexyl)-(1-propylimidazol-2-yl)methanone
CID 116749514
ethyl 1-ethoxy-4-methylcyclohexane-1-carboxylate
CID 129125852
(2-amino-5-chloro-3-pyridinyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanone
CID 116750132
(2-amino-5-chloro-3-pyridinyl)-(1-ethoxycyclopentyl)methanone
CID 116747900
(2-amino-4-methyl-3-pyridinyl)-(1-ethoxycycloheptyl)methanone
CID 116750801
(2-amino-3-pyridinyl)-[1-(dimethylamino)cyclohexyl]methanone
CID 79066637

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-(1-ethoxy-4-methylcyclohexyl)methanone?
The IUPAC name of (2-amino-3-pyridinyl)-(1-ethoxy-4-methylcyclohexyl)methanone (CID 116749351) is (2-amino-3-pyridinyl)-(1-ethoxy-4-methylcyclohexyl)methanone.
What is the SMILES notation for (2-amino-3-pyridinyl)-(1-ethoxy-4-methylcyclohexyl)methanone?
The canonical SMILES for (2-amino-3-pyridinyl)-(1-ethoxy-4-methylcyclohexyl)methanone is CCOC1(C(=O)c2cccnc2N)CCC(C)CC1.
What is the InChIKey of (2-amino-3-pyridinyl)-(1-ethoxy-4-methylcyclohexyl)methanone?
The InChIKey is VHDRVXIZXBQTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-19-15(8-6-11(2)7-9-15)13(18)12-5-4-10-17-14(12)16/h4-5,10-11H,3,6-9H2,1-2H3,(H2,16,17).
What are the key properties of (2-amino-3-pyridinyl)-(1-ethoxy-4-methylcyclohexyl)methanone?
(2-amino-3-pyridinyl)-(1-ethoxy-4-methylcyclohexyl)methanone has a molecular weight of 262.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-pyridinyl)-(1-ethoxy-4-methylcyclohexyl)methanone is sourced from PubChem (CID 116749351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).