N-(4-cyclopentyloxyphenyl)pyridine-4-carboxamide;hydrochloride

C17H19ClN2O2 — CID 110777040

IUPACN-(4-cyclopentyloxyphenyl)pyridine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(OC2CCCC2)cc1)c1ccncc1
InChIInChI=1S/C17H18N2O2.ClH/c20-17(13-9-11-18-12-10-13)19-14-5-7-16(8-6-14)21-15-3-1-2-4-15;/h5-12,15H,1-4H2,(H,19,20);1H
InChIKeyKOFBLZKGQNNRPO-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.08
Rot. Bonds4

About N-(4-cyclopentyloxyphenyl)pyridine-4-carboxamide;hydrochloride

N-(4-cyclopentyloxyphenyl)pyridine-4-carboxamide;hydrochloride (PubChem CID 110777040) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is N-(4-cyclopentyloxyphenyl)pyridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-cyclopentyloxyphenyl)pyridine-4-carboxamide;hydrochloride
PubChem CID110777040
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC NameN-(4-cyclopentyloxyphenyl)pyridine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(OC2CCCC2)cc1)c1ccncc1
InChIInChI=1S/C17H18N2O2.ClH/c20-17(13-9-11-18-12-10-13)19-14-5-7-16(8-6-14)21-15-3-1-2-4-15;/h5-12,15H,1-4H2,(H,19,20);1H
InChIKeyKOFBLZKGQNNRPO-UHFFFAOYSA-N
XLogP4.08
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentyloxyphenyl)pyridine-4-carboxamide;hydrochloride?
The IUPAC name of N-(4-cyclopentyloxyphenyl)pyridine-4-carboxamide;hydrochloride (CID 110777040) is N-(4-cyclopentyloxyphenyl)pyridine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-cyclopentyloxyphenyl)pyridine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(4-cyclopentyloxyphenyl)pyridine-4-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(OC2CCCC2)cc1)c1ccncc1.
What is the InChIKey of N-(4-cyclopentyloxyphenyl)pyridine-4-carboxamide;hydrochloride?
The InChIKey is KOFBLZKGQNNRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2.ClH/c20-17(13-9-11-18-12-10-13)19-14-5-7-16(8-6-14)21-15-3-1-2-4-15;/h5-12,15H,1-4H2,(H,19,20);1H.
What are the key properties of N-(4-cyclopentyloxyphenyl)pyridine-4-carboxamide;hydrochloride?
N-(4-cyclopentyloxyphenyl)pyridine-4-carboxamide;hydrochloride has a molecular weight of 318.80 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentyloxyphenyl)pyridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 110777040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).