N-(3-cyano-4-cyclopentyloxyphenyl)pyridine-3-carboxamide

C18H17N3O2 — CID 141478654

IUPACN-(3-cyano-4-cyclopentyloxyphenyl)pyridine-3-carboxamide
SMILESN#Cc1cc(NC(=O)c2cccnc2)ccc1OC1CCCC1
InChIInChI=1S/C18H17N3O2/c19-11-14-10-15(21-18(22)13-4-3-9-20-12-13)7-8-17(14)23-16-5-1-2-6-16/h3-4,7-10,12,16H,1-2,5-6H2,(H,21,22)
InChIKeyFPEFKABPKIDYFA-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.53
Rot. Bonds4

About N-(3-cyano-4-cyclopentyloxyphenyl)pyridine-3-carboxamide

N-(3-cyano-4-cyclopentyloxyphenyl)pyridine-3-carboxamide (PubChem CID 141478654) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(3-cyano-4-cyclopentyloxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4-cyclopentyloxyphenyl)pyridine-3-carboxamide
PubChem CID141478654
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-(3-cyano-4-cyclopentyloxyphenyl)pyridine-3-carboxamide
SMILESN#Cc1cc(NC(=O)c2cccnc2)ccc1OC1CCCC1
InChIInChI=1S/C18H17N3O2/c19-11-14-10-15(21-18(22)13-4-3-9-20-12-13)7-8-17(14)23-16-5-1-2-6-16/h3-4,7-10,12,16H,1-2,5-6H2,(H,21,22)
InChIKeyFPEFKABPKIDYFA-UHFFFAOYSA-N
XLogP3.53
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-cyclopentyloxyphenyl)pyridine-3-carboxamide?
The IUPAC name of N-(3-cyano-4-cyclopentyloxyphenyl)pyridine-3-carboxamide (CID 141478654) is N-(3-cyano-4-cyclopentyloxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-cyano-4-cyclopentyloxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-cyano-4-cyclopentyloxyphenyl)pyridine-3-carboxamide is N#Cc1cc(NC(=O)c2cccnc2)ccc1OC1CCCC1.
What is the InChIKey of N-(3-cyano-4-cyclopentyloxyphenyl)pyridine-3-carboxamide?
The InChIKey is FPEFKABPKIDYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c19-11-14-10-15(21-18(22)13-4-3-9-20-12-13)7-8-17(14)23-16-5-1-2-6-16/h3-4,7-10,12,16H,1-2,5-6H2,(H,21,22).
What are the key properties of N-(3-cyano-4-cyclopentyloxyphenyl)pyridine-3-carboxamide?
N-(3-cyano-4-cyclopentyloxyphenyl)pyridine-3-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-cyclopentyloxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 141478654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).