5-(4-chlorophenyl)-N-(3-methyloxan-4-yl)pyridine-3-carboxamide

C18H19ClN2O2 — CID 166229070

IUPAC5-(4-chlorophenyl)-N-(3-methyloxan-4-yl)pyridine-3-carboxamide
SMILESCC1COCCC1NC(=O)c1cncc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H19ClN2O2/c1-12-11-23-7-6-17(12)21-18(22)15-8-14(9-20-10-15)13-2-4-16(19)5-3-13/h2-5,8-10,12,17H,6-7,11H2,1H3,(H,21,22)
InChIKeyQWQWVWNTPOXXIZ-UHFFFAOYSA-N
MW330.81 g/mol
LogP3.56
Rot. Bonds3

About 5-(4-chlorophenyl)-N-(3-methyloxan-4-yl)pyridine-3-carboxamide

5-(4-chlorophenyl)-N-(3-methyloxan-4-yl)pyridine-3-carboxamide (PubChem CID 166229070) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.81 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(3-methyloxan-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(3-methyloxan-4-yl)pyridine-3-carboxamide
PubChem CID166229070
Molecular FormulaC18H19ClN2O2
Molecular Weight330.81 g/mol
Exact Mass330.11
IUPAC Name5-(4-chlorophenyl)-N-(3-methyloxan-4-yl)pyridine-3-carboxamide
SMILESCC1COCCC1NC(=O)c1cncc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H19ClN2O2/c1-12-11-23-7-6-17(12)21-18(22)15-8-14(9-20-10-15)13-2-4-16(19)5-3-13/h2-5,8-10,12,17H,6-7,11H2,1H3,(H,21,22)
InChIKeyQWQWVWNTPOXXIZ-UHFFFAOYSA-N
XLogP3.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-hydroxy-N-(3-methyloxan-4-yl)benzamide
CID 114240743
[5-(4-chlorophenyl)-3-pyridinyl]-[(2R)-2-methylmorpholin-4-yl]methanone
CID 136582281
2-fluoro-N-(3-methyloxan-4-yl)-5-sulfanylbenzamide
CID 114241561
N-cyclopropyl-5-(4-phenylphenyl)pyridine-3-carboxamide
CID 42845850
N-cyclohexyl-5-(4-methylphenyl)pyridine-3-carboxamide
CID 46032904
5-bromo-N-(2-methylcyclobutyl)pyridine-3-carboxamide
CID 130552943
4-[5-(4-chlorophenyl)pyridine-3-carbonyl]-6-methylpiperazin-2-one
CID 146147832
5-(4-methylphenyl)-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119452546
N-(3-aminobutyl)-5-(4-chlorophenyl)pyridine-3-carboxamide;dihydrochloride
CID 119498518
2-(4-chlorophenyl)-N-(3-fluorooxan-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 166402366
[5-(4-chlorophenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 42845797
5-(4-methoxyphenyl)-N-piperidin-4-ylpyridine-3-carboxamide
CID 71730777

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(3-methyloxan-4-yl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(3-methyloxan-4-yl)pyridine-3-carboxamide (CID 166229070) is 5-(4-chlorophenyl)-N-(3-methyloxan-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(3-methyloxan-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(3-methyloxan-4-yl)pyridine-3-carboxamide is CC1COCCC1NC(=O)c1cncc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(3-methyloxan-4-yl)pyridine-3-carboxamide?
The InChIKey is QWQWVWNTPOXXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-12-11-23-7-6-17(12)21-18(22)15-8-14(9-20-10-15)13-2-4-16(19)5-3-13/h2-5,8-10,12,17H,6-7,11H2,1H3,(H,21,22).
What are the key properties of 5-(4-chlorophenyl)-N-(3-methyloxan-4-yl)pyridine-3-carboxamide?
5-(4-chlorophenyl)-N-(3-methyloxan-4-yl)pyridine-3-carboxamide has a molecular weight of 330.81 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(3-methyloxan-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 166229070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).