2-(4-cyanoanilino)-6-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide

C22H16N6O — CID 109338079

IUPAC2-(4-cyanoanilino)-6-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc3cccnc23)nc(Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C22H16N6O/c1-14-12-19(28-22(25-14)26-17-9-7-15(13-23)8-10-17)21(29)27-18-6-2-4-16-5-3-11-24-20(16)18/h2-12H,1H3,(H,27,29)(H,25,26,28)
InChIKeySTIQOOLWKCIBKO-UHFFFAOYSA-N
MW380.41 g/mol
LogP4.20
Rot. Bonds4

About 2-(4-cyanoanilino)-6-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide

2-(4-cyanoanilino)-6-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide (PubChem CID 109338079) has the molecular formula C22H16N6O and a molecular weight of 380.41 g/mol. Its IUPAC name is 2-(4-cyanoanilino)-6-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-cyanoanilino)-6-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide
PubChem CID109338079
Molecular FormulaC22H16N6O
Molecular Weight380.41 g/mol
Exact Mass380.14
IUPAC Name2-(4-cyanoanilino)-6-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc3cccnc23)nc(Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C22H16N6O/c1-14-12-19(28-22(25-14)26-17-9-7-15(13-23)8-10-17)21(29)27-18-6-2-4-16-5-3-11-24-20(16)18/h2-12H,1H3,(H,27,29)(H,25,26,28)
InChIKeySTIQOOLWKCIBKO-UHFFFAOYSA-N
XLogP4.20
TPSA103.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-cyanoanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336829
6-methyl-2-(2-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109334786
2-(4-cyanoanilino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336078
2-anilino-N-(4-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334618
6-methyl-2-(propan-2-ylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109319423
2-(4-cyanoanilino)-N-(2,5-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109338146
2-(4-cyanoanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336944
2-(4-cyanoanilino)-N-(3,4-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109338130
2-(4-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109314065
2-(4-cyanoanilino)-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337704
2-(4-cyanoanilino)-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337749
5-(3-cyanoanilino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109200767

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanoanilino)-6-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-(4-cyanoanilino)-6-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide (CID 109338079) is 2-(4-cyanoanilino)-6-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-cyanoanilino)-6-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-cyanoanilino)-6-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2cccc3cccnc23)nc(Nc2ccc(C#N)cc2)n1.
What is the InChIKey of 2-(4-cyanoanilino)-6-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide?
The InChIKey is STIQOOLWKCIBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6O/c1-14-12-19(28-22(25-14)26-17-9-7-15(13-23)8-10-17)21(29)27-18-6-2-4-16-5-3-11-24-20(16)18/h2-12H,1H3,(H,27,29)(H,25,26,28).
What are the key properties of 2-(4-cyanoanilino)-6-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide?
2-(4-cyanoanilino)-6-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide has a molecular weight of 380.41 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanoanilino)-6-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109338079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).