N-(4-chloro-2-methylphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide

C19H14ClN5O — CID 109358471

IUPACN-(4-chloro-2-methylphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cc(Nc2ccc(C#N)cc2)ncn1
InChIInChI=1S/C19H14ClN5O/c1-12-8-14(20)4-7-16(12)25-19(26)17-9-18(23-11-22-17)24-15-5-2-13(10-21)3-6-15/h2-9,11H,1H3,(H,25,26)(H,22,23,24)
InChIKeyMQFXJWQBGKGDJB-UHFFFAOYSA-N
MW363.81 g/mol
LogP4.31
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide

N-(4-chloro-2-methylphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide (PubChem CID 109358471) has the molecular formula C19H14ClN5O and a molecular weight of 363.81 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
PubChem CID109358471
Molecular FormulaC19H14ClN5O
Molecular Weight363.81 g/mol
Exact Mass363.09
IUPAC NameN-(4-chloro-2-methylphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cc(Nc2ccc(C#N)cc2)ncn1
InChIInChI=1S/C19H14ClN5O/c1-12-8-14(20)4-7-16(12)25-19(26)17-9-18(23-11-22-17)24-15-5-2-13(10-21)3-6-15/h2-9,11H,1H3,(H,25,26)(H,22,23,24)
InChIKeyMQFXJWQBGKGDJB-UHFFFAOYSA-N
XLogP4.31
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-chloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356798
N-(4-chloro-2-methylphenyl)-2-(4-cyanoanilino)pyridine-4-carboxamide
CID 109177662
N-(3-chlorophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
CID 109358217
N-(4-chloro-2-methylphenyl)-5-(4-cyanoanilino)pyridine-2-carboxamide
CID 109199438
N-(4-cyanophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109356788
6-(4-cyanoanilino)-N-(3,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109357075
N-(5-chloro-2-methylphenyl)-6-(3-cyanoanilino)pyrimidine-4-carboxamide
CID 109358414
4-N-(4-chloro-2-methylphenyl)-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092935
2-N-(4-chloro-2-methylphenyl)-4-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092943
6-(3-chloro-4-fluoroanilino)-N-(4-cyanophenyl)pyrimidine-4-carboxamide
CID 109358549
N-(3-chloro-4-methoxyphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
CID 109358631
N-(4-cyanophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357985

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide (CID 109358471) is N-(4-chloro-2-methylphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide is Cc1cc(Cl)ccc1NC(=O)c1cc(Nc2ccc(C#N)cc2)ncn1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide?
The InChIKey is MQFXJWQBGKGDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O/c1-12-8-14(20)4-7-16(12)25-19(26)17-9-18(23-11-22-17)24-15-5-2-13(10-21)3-6-15/h2-9,11H,1H3,(H,25,26)(H,22,23,24).
What are the key properties of N-(4-chloro-2-methylphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide?
N-(4-chloro-2-methylphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide has a molecular weight of 363.81 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109358471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).