N-(4-cyanophenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide

C20H17N5O — CID 109256337

IUPACN-(4-cyanophenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
SMILESCc1ccc(CNc2ncc(C(=O)Nc3ccc(C#N)cc3)cn2)cc1
InChIInChI=1S/C20H17N5O/c1-14-2-4-16(5-3-14)11-22-20-23-12-17(13-24-20)19(26)25-18-8-6-15(10-21)7-9-18/h2-9,12-13H,11H2,1H3,(H,25,26)(H,22,23,24)
InChIKeyLZNSOKFOSBTRFL-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.52
Rot. Bonds5

About N-(4-cyanophenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide

N-(4-cyanophenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide (PubChem CID 109256337) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
PubChem CID109256337
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC NameN-(4-cyanophenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
SMILESCc1ccc(CNc2ncc(C(=O)Nc3ccc(C#N)cc3)cn2)cc1
InChIInChI=1S/C20H17N5O/c1-14-2-4-16(5-3-14)11-22-20-23-12-17(13-24-20)19(26)25-18-8-6-15(10-21)7-9-18/h2-9,12-13H,11H2,1H3,(H,25,26)(H,22,23,24)
InChIKeyLZNSOKFOSBTRFL-UHFFFAOYSA-N
XLogP3.52
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256322
N-(3-cyanophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109258170
N-(4-fluorophenyl)-4-[[(5-methylpyrimidin-2-yl)amino]methyl]benzamide
CID 133404406
N-(2-methoxy-5-methylphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256299
N-(3-methoxyphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256295
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109258158
N-(2-chlorophenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256282
N-(4-cyanophenyl)-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide
CID 109270313
5-(benzylamino)-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109188122
2-[(4-chlorophenyl)methylamino]-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109257713
4-N-[(4-cyanophenyl)methyl]-4-N-methyl-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 178070557
N-(4-bromophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155992

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide (CID 109256337) is N-(4-cyanophenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide is Cc1ccc(CNc2ncc(C(=O)Nc3ccc(C#N)cc3)cn2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide?
The InChIKey is LZNSOKFOSBTRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-14-2-4-16(5-3-14)11-22-20-23-12-17(13-24-20)19(26)25-18-8-6-15(10-21)7-9-18/h2-9,12-13H,11H2,1H3,(H,25,26)(H,22,23,24).
What are the key properties of N-(4-cyanophenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide?
N-(4-cyanophenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109256337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).