5-chloro-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide

C17H13ClN4O — CID 166322102

IUPAC5-chloro-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
SMILESO=C(NCc1cccnc1)c1nc(-c2ccccc2)ncc1Cl
InChIInChI=1S/C17H13ClN4O/c18-14-11-20-16(13-6-2-1-3-7-13)22-15(14)17(23)21-10-12-5-4-8-19-9-12/h1-9,11H,10H2,(H,21,23)
InChIKeyRMGOBHSVTCJJHV-UHFFFAOYSA-N
MW324.77 g/mol
LogP3.12
Rot. Bonds4

About 5-chloro-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide

5-chloro-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 166322102) has the molecular formula C17H13ClN4O and a molecular weight of 324.77 g/mol. Its IUPAC name is 5-chloro-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
PubChem CID166322102
Molecular FormulaC17H13ClN4O
Molecular Weight324.77 g/mol
Exact Mass324.08
IUPAC Name5-chloro-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
SMILESO=C(NCc1cccnc1)c1nc(-c2ccccc2)ncc1Cl
InChIInChI=1S/C17H13ClN4O/c18-14-11-20-16(13-6-2-1-3-7-13)22-15(14)17(23)21-10-12-5-4-8-19-9-12/h1-9,11H,10H2,(H,21,23)
InChIKeyRMGOBHSVTCJJHV-UHFFFAOYSA-N
XLogP3.12
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
4-chloro-3-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)benzamide
CID 58791127
3-chloro-6-(methylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 62187059
2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-5-carboxamide
CID 110681421
2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 801778
5-methyl-2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 17441319
N-benzylpyridine-3-carboxamide chloride
CID 21204170
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 4244473
2-(pyridin-3-ylmethylcarbamoyl)pyridine-3-carboxylic acid
CID 19154891
2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 166211099
4-(2-phenylimidazo[4,5-b]pyridin-3-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 20916096

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide (CID 166322102) is 5-chloro-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide is O=C(NCc1cccnc1)c1nc(-c2ccccc2)ncc1Cl.
What is the InChIKey of 5-chloro-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is RMGOBHSVTCJJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O/c18-14-11-20-16(13-6-2-1-3-7-13)22-15(14)17(23)21-10-12-5-4-8-19-9-12/h1-9,11H,10H2,(H,21,23).
What are the key properties of 5-chloro-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
5-chloro-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 324.77 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 166322102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).