N-(3-cyanophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide

C19H14N4O — CID 110864853

IUPACN-(3-cyanophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide
SMILESCc1nc(-c2ccccc2)ncc1C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C19H14N4O/c1-13-17(12-21-18(22-13)15-7-3-2-4-8-15)19(24)23-16-9-5-6-14(10-16)11-20/h2-10,12H,1H3,(H,23,24)
InChIKeyIKYUNYGOYZUQDS-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.58
Rot. Bonds3

About N-(3-cyanophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide

N-(3-cyanophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide (PubChem CID 110864853) has the molecular formula C19H14N4O and a molecular weight of 314.35 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide
PubChem CID110864853
Molecular FormulaC19H14N4O
Molecular Weight314.35 g/mol
Exact Mass314.12
IUPAC NameN-(3-cyanophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide
SMILESCc1nc(-c2ccccc2)ncc1C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C19H14N4O/c1-13-17(12-21-18(22-13)15-7-3-2-4-8-15)19(24)23-16-9-5-6-14(10-16)11-20/h2-10,12H,1H3,(H,23,24)
InChIKeyIKYUNYGOYZUQDS-UHFFFAOYSA-N
XLogP3.58
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide
CID 96596105
N-(3-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47300067
N-(3-cyanophenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81235774
N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 46288577
ethyl 4-[(4-methyl-2-phenylpyrimidine-5-carbonyl)amino]benzoate
CID 53080370
N-(3-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143497
N-(3-cyanophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 100779207
N-(3-cyanophenyl)-4-[4-[(3-cyanophenyl)carbamoyl]phenyl]benzamide
CID 90213286
4-methyl-2-phenyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 53080350
N-(3-bromophenyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 92648375
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
N-(3-cyanophenyl)-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136669999

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide (CID 110864853) is N-(3-cyanophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide is Cc1nc(-c2ccccc2)ncc1C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide?
The InChIKey is IKYUNYGOYZUQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O/c1-13-17(12-21-18(22-13)15-7-3-2-4-8-15)19(24)23-16-9-5-6-14(10-16)11-20/h2-10,12H,1H3,(H,23,24).
What are the key properties of N-(3-cyanophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide?
N-(3-cyanophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 110864853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).