(2-amino-1-methylcyclopentyl)-(5-ethoxy-3-pyridinyl)methanone

C14H20N2O2 — CID 116607379

IUPAC(2-amino-1-methylcyclopentyl)-(5-ethoxy-3-pyridinyl)methanone
SMILESCCOc1cncc(C(=O)C2(C)CCCC2N)c1
InChIInChI=1S/C14H20N2O2/c1-3-18-11-7-10(8-16-9-11)13(17)14(2)6-4-5-12(14)15/h7-9,12H,3-6,15H2,1-2H3
InChIKeyPMIPFEQEWAZRMF-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.18
Rot. Bonds4

About (2-amino-1-methylcyclopentyl)-(5-ethoxy-3-pyridinyl)methanone

(2-amino-1-methylcyclopentyl)-(5-ethoxy-3-pyridinyl)methanone (PubChem CID 116607379) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2-amino-1-methylcyclopentyl)-(5-ethoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(2-amino-1-methylcyclopentyl)-(5-ethoxy-3-pyridinyl)methanone
PubChem CID116607379
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2-amino-1-methylcyclopentyl)-(5-ethoxy-3-pyridinyl)methanone
SMILESCCOc1cncc(C(=O)C2(C)CCCC2N)c1
InChIInChI=1S/C14H20N2O2/c1-3-18-11-7-10(8-16-9-11)13(17)14(2)6-4-5-12(14)15/h7-9,12H,3-6,15H2,1-2H3
InChIKeyPMIPFEQEWAZRMF-UHFFFAOYSA-N
XLogP2.18
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(aminomethyl)cycloheptyl]-(5-ethoxy-3-pyridinyl)methanone
CID 116602231
(5-ethoxy-3-pyridinyl)-(1-hydroxy-4-methylcyclohexyl)methanone
CID 103450649
(5-ethoxy-3-pyridinyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanone
CID 116750301
(5-ethoxy-3-pyridinyl)-(4-ethylpiperidin-4-yl)methanone
CID 116568171
(4-ethoxyoxan-4-yl)-(5-ethoxy-3-pyridinyl)methanone
CID 116748926
(2-amino-1-methylcyclopentyl)-(4-methoxyphenyl)methanone
CID 116607273
(5-ethoxy-3-pyridinyl)-(2-methylcyclopentyl)methanone
CID 107187365
3-cyclopentyl-1-(5-ethoxy-3-pyridinyl)propan-1-one
CID 115793861
(2-amino-1-methylcyclopentyl)-(3-propylphenyl)methanone
CID 116607279
3-amino-1-(5-ethoxy-3-pyridinyl)-2-methylbutan-1-one
CID 116612385
2-cyclopropyl-1-(5-ethoxy-3-pyridinyl)-2-methoxyethanone
CID 116709078
2-(cyclopropylamino)-1-(5-ethoxy-3-pyridinyl)ethanone
CID 116555212

Frequently Asked Questions

What is the IUPAC name of (2-amino-1-methylcyclopentyl)-(5-ethoxy-3-pyridinyl)methanone?
The IUPAC name of (2-amino-1-methylcyclopentyl)-(5-ethoxy-3-pyridinyl)methanone (CID 116607379) is (2-amino-1-methylcyclopentyl)-(5-ethoxy-3-pyridinyl)methanone.
What is the SMILES notation for (2-amino-1-methylcyclopentyl)-(5-ethoxy-3-pyridinyl)methanone?
The canonical SMILES for (2-amino-1-methylcyclopentyl)-(5-ethoxy-3-pyridinyl)methanone is CCOc1cncc(C(=O)C2(C)CCCC2N)c1.
What is the InChIKey of (2-amino-1-methylcyclopentyl)-(5-ethoxy-3-pyridinyl)methanone?
The InChIKey is PMIPFEQEWAZRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-18-11-7-10(8-16-9-11)13(17)14(2)6-4-5-12(14)15/h7-9,12H,3-6,15H2,1-2H3.
What are the key properties of (2-amino-1-methylcyclopentyl)-(5-ethoxy-3-pyridinyl)methanone?
(2-amino-1-methylcyclopentyl)-(5-ethoxy-3-pyridinyl)methanone has a molecular weight of 248.33 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1-methylcyclopentyl)-(5-ethoxy-3-pyridinyl)methanone is sourced from PubChem (CID 116607379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).