1-(aminomethyl)-N-(4-cyano-2-methoxyphenyl)cyclopentane-1-carboxamide

C15H19N3O2 — CID 104848800

IUPAC1-(aminomethyl)-N-(4-cyano-2-methoxyphenyl)cyclopentane-1-carboxamide
SMILESCOc1cc(C#N)ccc1NC(=O)C1(CN)CCCC1
InChIInChI=1S/C15H19N3O2/c1-20-13-8-11(9-16)4-5-12(13)18-14(19)15(10-17)6-2-3-7-15/h4-5,8H,2-3,6-7,10,17H2,1H3,(H,18,19)
InChIKeyUQYVUZQYYGRHPZ-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.02
Rot. Bonds4

About 1-(aminomethyl)-N-(4-cyano-2-methoxyphenyl)cyclopentane-1-carboxamide

1-(aminomethyl)-N-(4-cyano-2-methoxyphenyl)cyclopentane-1-carboxamide (PubChem CID 104848800) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(4-cyano-2-methoxyphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(4-cyano-2-methoxyphenyl)cyclopentane-1-carboxamide
PubChem CID104848800
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-(aminomethyl)-N-(4-cyano-2-methoxyphenyl)cyclopentane-1-carboxamide
SMILESCOc1cc(C#N)ccc1NC(=O)C1(CN)CCCC1
InChIInChI=1S/C15H19N3O2/c1-20-13-8-11(9-16)4-5-12(13)18-14(19)15(10-17)6-2-3-7-15/h4-5,8H,2-3,6-7,10,17H2,1H3,(H,18,19)
InChIKeyUQYVUZQYYGRHPZ-UHFFFAOYSA-N
XLogP2.02
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-(2-chloro-4-cyanophenyl)cyclobutane-1-carboxamide
CID 107808093
1-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)cyclohexane-1-carboxamide
CID 107467865
N-(4-cyano-2-methoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981241
3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methoxybenzamide
CID 115434921
1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)cycloheptane-1-carboxamide
CID 115444052
1-(aminomethyl)-N-(2-methoxy-4,5-dimethylphenyl)cyclopropane-1-carboxamide
CID 115182516
1-[(4-cyano-2-methoxyphenyl)carbamoylamino]cyclobutane-1-carboxylic acid
CID 104849714
1-(aminomethyl)-N-(2,4-dibromo-5-methoxyphenyl)cyclohexane-1-carboxamide
CID 103413985
1-(aminomethyl)-N-(4-methoxy-2-methylphenyl)cyclohexane-1-carboxamide
CID 62870974
3-(4-cyano-2-methoxyanilino)-3-oxopropanoic acid
CID 104850039
1-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-4-methylcyclohexane-1-carboxamide
CID 115441980
1-(aminomethyl)-N-(5-chloro-2-cyanophenyl)cyclopentane-1-carboxamide
CID 115434808

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(4-cyano-2-methoxyphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(4-cyano-2-methoxyphenyl)cyclopentane-1-carboxamide (CID 104848800) is 1-(aminomethyl)-N-(4-cyano-2-methoxyphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(4-cyano-2-methoxyphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(4-cyano-2-methoxyphenyl)cyclopentane-1-carboxamide is COc1cc(C#N)ccc1NC(=O)C1(CN)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(4-cyano-2-methoxyphenyl)cyclopentane-1-carboxamide?
The InChIKey is UQYVUZQYYGRHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-20-13-8-11(9-16)4-5-12(13)18-14(19)15(10-17)6-2-3-7-15/h4-5,8H,2-3,6-7,10,17H2,1H3,(H,18,19).
What are the key properties of 1-(aminomethyl)-N-(4-cyano-2-methoxyphenyl)cyclopentane-1-carboxamide?
1-(aminomethyl)-N-(4-cyano-2-methoxyphenyl)cyclopentane-1-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(4-cyano-2-methoxyphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 104848800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).