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

C18H16N4O — CID 110852258

IUPAC4-methyl-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
SMILESCc1nc(-c2ccccc2)ncc1C(=O)NCc1ccncc1
InChIInChI=1S/C18H16N4O/c1-13-16(18(23)21-11-14-7-9-19-10-8-14)12-20-17(22-13)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H,21,23)
InChIKeyUISIIDDXKMKFJY-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.78
Rot. Bonds4

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

4-methyl-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 110852258) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-methyl-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
PubChem CID110852258
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name4-methyl-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
SMILESCc1nc(-c2ccccc2)ncc1C(=O)NCc1ccncc1
InChIInChI=1S/C18H16N4O/c1-13-16(18(23)21-11-14-7-9-19-10-8-14)12-20-17(22-13)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H,21,23)
InChIKeyUISIIDDXKMKFJY-UHFFFAOYSA-N
XLogP2.78
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2,4-dimethylpyrimidine-5-carboxamide
CID 53007173
2-amino-N-benzyl-4-methylpyrimidine-5-carboxamide
CID 1487920
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-2-phenylpyrimidine-5-carboxamide
CID 53080400
1-methyl-3-[[(4-methyl-2-phenylpyrimidine-5-carbonyl)amino]methyl]pyrazole-4-carboxylic acid
CID 167852325
N-[(4-methoxyphenyl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 53080240
N-(3-imidazol-1-ylpropyl)-4-methyl-2-phenylpyrimidine-5-carboxamide
CID 74232139
N-(3-acetamidophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide
CID 96596105
3-phenyl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 6472637
2-(3-methylphenyl)-4-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 42670736
5-phenyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 110683582
2-(3-methylphenyl)-4-(4-methylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 42670785
4-methyl-2-phenyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 53080350

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide (CID 110852258) is 4-methyl-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide is Cc1nc(-c2ccccc2)ncc1C(=O)NCc1ccncc1.
What is the InChIKey of 4-methyl-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is UISIIDDXKMKFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-13-16(18(23)21-11-14-7-9-19-10-8-14)12-20-17(22-13)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H,21,23).
What are the key properties of 4-methyl-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
4-methyl-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 110852258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).