3-amino-N-(4-cyano-2-methoxyphenyl)cyclopentane-1-carboxamide

C14H17N3O2 — CID 104848920

IUPAC3-amino-N-(4-cyano-2-methoxyphenyl)cyclopentane-1-carboxamide
SMILESCOc1cc(C#N)ccc1NC(=O)C1CCC(N)C1
InChIInChI=1S/C14H17N3O2/c1-19-13-6-9(8-15)2-5-12(13)17-14(18)10-3-4-11(16)7-10/h2,5-6,10-11H,3-4,7,16H2,1H3,(H,17,18)
InChIKeyWBLZMYCVUPKSAH-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.63
Rot. Bonds3

About 3-amino-N-(4-cyano-2-methoxyphenyl)cyclopentane-1-carboxamide

3-amino-N-(4-cyano-2-methoxyphenyl)cyclopentane-1-carboxamide (PubChem CID 104848920) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-amino-N-(4-cyano-2-methoxyphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-cyano-2-methoxyphenyl)cyclopentane-1-carboxamide
PubChem CID104848920
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-amino-N-(4-cyano-2-methoxyphenyl)cyclopentane-1-carboxamide
SMILESCOc1cc(C#N)ccc1NC(=O)C1CCC(N)C1
InChIInChI=1S/C14H17N3O2/c1-19-13-6-9(8-15)2-5-12(13)17-14(18)10-3-4-11(16)7-10/h2,5-6,10-11H,3-4,7,16H2,1H3,(H,17,18)
InChIKeyWBLZMYCVUPKSAH-UHFFFAOYSA-N
XLogP1.63
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamido-3-methoxyphenyl)-3-aminocyclopentane-1-carboxamide
CID 66030500
3-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119779701
3-amino-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide
CID 66009354
3-[(3-aminocyclopentanecarbonyl)amino]-4-methoxy-N-methylbenzamide
CID 119714004
2-(4-aminopiperidin-1-yl)-N-(4-cyano-2-methoxyphenyl)acetamide
CID 104848882
N-[4-[(3-aminocyclopentanecarbonyl)amino]-2,5-dimethoxyphenyl]benzamide
CID 119679316
N-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride
CID 119791343
3-amino-N-(3-chloro-4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030670
3-(4-cyano-2-methoxyanilino)-3-oxopropanoic acid
CID 104850039
3-amino-N-(2-bromo-5-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119752414
3-amino-N-(4-bromo-2-ethoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119812502
2-bromo-N-(4-cyano-2-methoxyphenyl)propanamide
CID 107905736

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-cyano-2-methoxyphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-(4-cyano-2-methoxyphenyl)cyclopentane-1-carboxamide (CID 104848920) is 3-amino-N-(4-cyano-2-methoxyphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(4-cyano-2-methoxyphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-(4-cyano-2-methoxyphenyl)cyclopentane-1-carboxamide is COc1cc(C#N)ccc1NC(=O)C1CCC(N)C1.
What is the InChIKey of 3-amino-N-(4-cyano-2-methoxyphenyl)cyclopentane-1-carboxamide?
The InChIKey is WBLZMYCVUPKSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-19-13-6-9(8-15)2-5-12(13)17-14(18)10-3-4-11(16)7-10/h2,5-6,10-11H,3-4,7,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-N-(4-cyano-2-methoxyphenyl)cyclopentane-1-carboxamide?
3-amino-N-(4-cyano-2-methoxyphenyl)cyclopentane-1-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-cyano-2-methoxyphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 104848920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).