N-(3-cyanophenyl)-2-(2-ethyl-6-methylanilino)pyrimidine-5-carboxamide

C21H19N5O — CID 109267799

IUPACN-(3-cyanophenyl)-2-(2-ethyl-6-methylanilino)pyrimidine-5-carboxamide
SMILESCCc1cccc(C)c1Nc1ncc(C(=O)Nc2cccc(C#N)c2)cn1
InChIInChI=1S/C21H19N5O/c1-3-16-8-4-6-14(2)19(16)26-21-23-12-17(13-24-21)20(27)25-18-9-5-7-15(10-18)11-22/h4-10,12-13H,3H2,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyOKIQNCVMQZMDII-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.22
Rot. Bonds5

About N-(3-cyanophenyl)-2-(2-ethyl-6-methylanilino)pyrimidine-5-carboxamide

N-(3-cyanophenyl)-2-(2-ethyl-6-methylanilino)pyrimidine-5-carboxamide (PubChem CID 109267799) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(2-ethyl-6-methylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(2-ethyl-6-methylanilino)pyrimidine-5-carboxamide
PubChem CID109267799
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC NameN-(3-cyanophenyl)-2-(2-ethyl-6-methylanilino)pyrimidine-5-carboxamide
SMILESCCc1cccc(C)c1Nc1ncc(C(=O)Nc2cccc(C#N)c2)cn1
InChIInChI=1S/C21H19N5O/c1-3-16-8-4-6-14(2)19(16)26-21-23-12-17(13-24-21)20(27)25-18-9-5-7-15(10-18)11-22/h4-10,12-13H,3H2,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyOKIQNCVMQZMDII-UHFFFAOYSA-N
XLogP4.22
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-cyanoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide
CID 109267752
methyl 3-[[2-(2-ethyl-6-methylanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109267789
N-(3-cyanophenyl)-4-(2-ethyl-6-methylanilino)pyridine-2-carboxamide
CID 109220395
2-(2,6-diethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265494
2-(2-ethyl-6-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265294
2-(2-ethyl-6-methylanilino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109267775
2-(3-cyanoanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266441
3-[[3-(2-ethyl-6-methylanilino)-1,2,4-triazin-5-yl]amino]benzonitrile
CID 112964604
3-[[6-(2-ethyl-6-methylanilino)pyrimidin-4-yl]amino]benzonitrile
CID 112865499
N-(3-cyanophenyl)-2-(2,3-dichloroanilino)pyrimidine-5-carboxamide
CID 109270661
2-(3-cyanoanilino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109267947
N-(3-cyanophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109258170

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(2-ethyl-6-methylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-2-(2-ethyl-6-methylanilino)pyrimidine-5-carboxamide (CID 109267799) is N-(3-cyanophenyl)-2-(2-ethyl-6-methylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(2-ethyl-6-methylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(2-ethyl-6-methylanilino)pyrimidine-5-carboxamide is CCc1cccc(C)c1Nc1ncc(C(=O)Nc2cccc(C#N)c2)cn1.
What is the InChIKey of N-(3-cyanophenyl)-2-(2-ethyl-6-methylanilino)pyrimidine-5-carboxamide?
The InChIKey is OKIQNCVMQZMDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-3-16-8-4-6-14(2)19(16)26-21-23-12-17(13-24-21)20(27)25-18-9-5-7-15(10-18)11-22/h4-10,12-13H,3H2,1-2H3,(H,25,27)(H,23,24,26).
What are the key properties of N-(3-cyanophenyl)-2-(2-ethyl-6-methylanilino)pyrimidine-5-carboxamide?
N-(3-cyanophenyl)-2-(2-ethyl-6-methylanilino)pyrimidine-5-carboxamide has a molecular weight of 357.42 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(2-ethyl-6-methylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109267799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).