N-(2-cyanophenyl)-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide

C20H17N5O2 — CID 109337510

IUPACN-(2-cyanophenyl)-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2nc(C)cc(C(=O)Nc3ccccc3C#N)n2)c1
InChIInChI=1S/C20H17N5O2/c1-13-10-18(19(26)24-17-9-4-3-6-14(17)12-21)25-20(22-13)23-15-7-5-8-16(11-15)27-2/h3-11H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyGNKPREWZOVTIHD-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.66
Rot. Bonds5

About N-(2-cyanophenyl)-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide

N-(2-cyanophenyl)-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109337510) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide
PubChem CID109337510
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC NameN-(2-cyanophenyl)-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2nc(C)cc(C(=O)Nc3ccccc3C#N)n2)c1
InChIInChI=1S/C20H17N5O2/c1-13-10-18(19(26)24-17-9-4-3-6-14(17)12-21)25-20(22-13)23-15-7-5-8-16(11-15)27-2/h3-11H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyGNKPREWZOVTIHD-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

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Related Compounds

N-(2-cyanophenyl)-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337762
N-(2-cyanophenyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337446
2-(2-cyanoanilino)-N-(2-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109338178
2-(2-cyanoanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337478
2-(3-methoxyanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334663
methyl 2-[[2-(3-methoxyanilino)-6-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109337500
2-(3-methoxyanilino)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109337491
2-(3-acetylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337527
N-(2-cyanophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109293558
N-(2-cyanophenyl)-2-(2,6-diethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336635
2-(3-cyanoanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337603
N-(2-cyanophenyl)-2-(2-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336209

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide (CID 109337510) is N-(2-cyanophenyl)-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide is COc1cccc(Nc2nc(C)cc(C(=O)Nc3ccccc3C#N)n2)c1.
What is the InChIKey of N-(2-cyanophenyl)-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is GNKPREWZOVTIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-13-10-18(19(26)24-17-9-4-3-6-14(17)12-21)25-20(22-13)23-15-7-5-8-16(11-15)27-2/h3-11H,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(2-cyanophenyl)-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide?
N-(2-cyanophenyl)-2-(3-methoxyanilino)-6-methylpyrimidine-4-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 N-(2-cyanophenyl)-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109337510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).