1-cyano-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide

C18H21N3O2 — CID 31816749

IUPAC1-cyano-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)CCCC1
InChIInChI=1S/C18H21N3O2/c19-13-18(9-1-2-10-18)17(23)20-15-7-5-14(6-8-15)16(22)21-11-3-4-12-21/h5-8H,1-4,9-12H2,(H,20,23)
InChIKeyPGHIIYZRAFVBKE-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.95
Rot. Bonds3

About 1-cyano-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide

1-cyano-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide (PubChem CID 31816749) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-cyano-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide
PubChem CID31816749
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name1-cyano-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)CCCC1
InChIInChI=1S/C18H21N3O2/c19-13-18(9-1-2-10-18)17(23)20-15-7-5-14(6-8-15)16(22)21-11-3-4-12-21/h5-8H,1-4,9-12H2,(H,20,23)
InChIKeyPGHIIYZRAFVBKE-UHFFFAOYSA-N
XLogP2.95
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-cyanocyclohexanecarbonyl)amino]benzamide
CID 60581823
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1-cyano-N-(4-iodophenyl)cyclobutane-1-carboxamide
CID 78995000
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
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CID 33168655
1-methyl-3-[4-(pyrrolidine-1-carbonyl)phenyl]thiourea
CID 17279697
azocan-1-yl-[4-(methylamino)phenyl]methanone
CID 62172991
1-cyano-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 51246758
1-[4-[(1-methylcyclopentanecarbonyl)amino]benzoyl]piperidine-4-carboxylic acid
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3-[(1-cyanocyclopentanecarbonyl)amino]benzamide
CID 51246637
1-[4-(azepane-1-carbonyl)phenyl]-3-(4-nitrophenyl)urea
CID 166354714

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide (CID 31816749) is 1-cyano-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide is N#CC1(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)CCCC1.
What is the InChIKey of 1-cyano-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide?
The InChIKey is PGHIIYZRAFVBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c19-13-18(9-1-2-10-18)17(23)20-15-7-5-14(6-8-15)16(22)21-11-3-4-12-21/h5-8H,1-4,9-12H2,(H,20,23).
What are the key properties of 1-cyano-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide?
1-cyano-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 31816749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).