N-(4-cyanophenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide

C20H17N5O — CID 109347135

IUPACN-(4-cyanophenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCc1cccc(CNc2cc(C(=O)Nc3ccc(C#N)cc3)ncn2)c1
InChIInChI=1S/C20H17N5O/c1-14-3-2-4-16(9-14)12-22-19-10-18(23-13-24-19)20(26)25-17-7-5-15(11-21)6-8-17/h2-10,13H,12H2,1H3,(H,25,26)(H,22,23,24)
InChIKeyWUGMPXYHANJSSA-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.52
Rot. Bonds5

About N-(4-cyanophenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide

N-(4-cyanophenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide (PubChem CID 109347135) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(4-cyanophenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
PubChem CID109347135
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC NameN-(4-cyanophenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCc1cccc(CNc2cc(C(=O)Nc3ccc(C#N)cc3)ncn2)c1
InChIInChI=1S/C20H17N5O/c1-14-3-2-4-16(9-14)12-22-19-10-18(23-13-24-19)20(26)25-17-7-5-15(11-21)6-8-17/h2-10,13H,12H2,1H3,(H,25,26)(H,22,23,24)
InChIKeyWUGMPXYHANJSSA-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

6-(benzylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109346612
6-(1,3-benzodioxol-5-ylmethylamino)-N-(4-cyanophenyl)pyrimidine-4-carboxamide
CID 109349305
N-(2-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347068
N-(3-methylphenyl)-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347311
N-(4-cyanophenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109353572
N-(3-cyanophenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350268
N-(4-cyanophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109356788
N-(4-cyanophenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109343279
6-(4-cyanoanilino)-N-(3,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109357075
6-[(3-methylphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109347033
N-cyclohexyl-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109341985
N-(4-cyanophenyl)-2-[(3-methylphenyl)methylamino]acetamide
CID 108996859

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide (CID 109347135) is N-(4-cyanophenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide is Cc1cccc(CNc2cc(C(=O)Nc3ccc(C#N)cc3)ncn2)c1.
What is the InChIKey of N-(4-cyanophenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The InChIKey is WUGMPXYHANJSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-14-3-2-4-16(9-14)12-22-19-10-18(23-13-24-19)20(26)25-17-7-5-15(11-21)6-8-17/h2-10,13H,12H2,1H3,(H,25,26)(H,22,23,24).
What are the key properties of N-(4-cyanophenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide?
N-(4-cyanophenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-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)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109347135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).