2-(3-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide

C20H17N5O2 — CID 109269822

IUPAC2-(3-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cnc(Nc2cccc(C#N)c2)nc1
InChIInChI=1S/C20H17N5O2/c1-13-6-7-18(27-2)17(8-13)25-19(26)15-11-22-20(23-12-15)24-16-5-3-4-14(9-16)10-21/h3-9,11-12H,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyONAHLWYGJOZFDN-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.66
Rot. Bonds5

About 2-(3-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide

2-(3-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide (PubChem CID 109269822) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-(3-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide
PubChem CID109269822
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name2-(3-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cnc(Nc2cccc(C#N)c2)nc1
InChIInChI=1S/C20H17N5O2/c1-13-6-7-18(27-2)17(8-13)25-19(26)15-11-22-20(23-12-15)24-16-5-3-4-14(9-16)10-21/h3-9,11-12H,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyONAHLWYGJOZFDN-UHFFFAOYSA-N
XLogP3.66
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(3-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-cyanoanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266441
2-anilino-N-(2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide
CID 109265216
methyl 2-[[2-(3-cyanoanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109270197
N-(4-cyanophenyl)-2-(3,4-dimethoxyanilino)pyrimidine-5-carboxamide
CID 109269995
2-(2-methoxy-5-methylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109265712
N-(3,5-dimethylphenyl)-2-(2-methoxy-5-methylanilino)pyrimidine-5-carboxamide
CID 109266866
N-(2,4-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109266400
N-(2-methoxy-5-methylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109268180
2-(3-cyanoanilino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109267947
2-(3-cyanoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide
CID 109267752
N-(2-methoxy-5-methylphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256299
2-(3-bromoanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269426

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide (CID 109269822) is 2-(3-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide is COc1ccc(C)cc1NC(=O)c1cnc(Nc2cccc(C#N)c2)nc1.
What is the InChIKey of 2-(3-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide?
The InChIKey is ONAHLWYGJOZFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-13-6-7-18(27-2)17(8-13)25-19(26)15-11-22-20(23-12-15)24-16-5-3-4-14(9-16)10-21/h3-9,11-12H,1-2H3,(H,25,26)(H,22,23,24).
What are the key properties of 2-(3-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide?
2-(3-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109269822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).