5-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

C17H17ClN2O2 — CID 46154549

IUPAC5-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cncc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H17ClN2O2/c18-15-5-3-12(4-6-15)13-8-14(10-19-9-13)17(21)20-11-16-2-1-7-22-16/h3-6,8-10,16H,1-2,7,11H2,(H,20,21)
InChIKeyOSPPJQDBMRFLSQ-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.31
Rot. Bonds4

About 5-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

5-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 46154549) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID46154549
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name5-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cncc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H17ClN2O2/c18-15-5-3-12(4-6-15)13-8-14(10-19-9-13)17(21)20-11-16-2-1-7-22-16/h3-6,8-10,16H,1-2,7,11H2,(H,20,21)
InChIKeyOSPPJQDBMRFLSQ-UHFFFAOYSA-N
XLogP3.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 571790
N-benzyl-5-(4-chlorophenyl)nicotinamide
CID 46032908
5-(4-chlorophenyl)-N-(2-methylbenzyl)nicotinamide
CID 52945923
N-(2-chlorobenzyl)-5-(4-chlorophenyl)nicotinamide
CID 52948346
5,6-dichloro-N-[(oxolan-2-yl)methyl]pyridine-3-carboxamide
CID 3923546
5-(4-Chloro-phenyl)-6-(2-cyclopropyl-ethyl)-N-((1R,2R)-2-hydroxy-cyclohexyl)-nicotinamide
CID 24797443
5-(4-chlorophenyl)-N-(2-morpholinobenzyl)nicotinamide
CID 52945882
N-{3-[2-(4-Chloro-phenyl)-acetylamino]-propyl}-nicotinamide
CID 2987830
N-[3-(4-Chloro-benzoylamino)-propyl]-nicotinamide
CID 2988862
(7R,11R,19E)-11-[(4-chlorophenyl)methyl]-13-oxa-3,10,23-triazatricyclo[19.3.1.03,7]pentacosa-1(24),19,21(25),22-tetraene-2,9,12-trione
CID 172408461
5-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)nicotinamide
CID 52947108
3-[5-(4-Chlorophenyl)pyridine-3-carbonyl]-1-methylpyrrolidin-2-one
CID 71525562

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (CID 46154549) is 5-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is O=C(NCC1CCCO1)c1cncc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is OSPPJQDBMRFLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c18-15-5-3-12(4-6-15)13-8-14(10-19-9-13)17(21)20-11-16-2-1-7-22-16/h3-6,8-10,16H,1-2,7,11H2,(H,20,21).
What are the key properties of 5-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
5-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 316.79 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 46154549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).