6-(5-chloro-2-methylanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide

C19H14ClN5O — CID 109358385

IUPAC6-(5-chloro-2-methylanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(Cl)cc1Nc1cc(C(=O)Nc2ccccc2C#N)ncn1
InChIInChI=1S/C19H14ClN5O/c1-12-6-7-14(20)8-16(12)24-18-9-17(22-11-23-18)19(26)25-15-5-3-2-4-13(15)10-21/h2-9,11H,1H3,(H,25,26)(H,22,23,24)
InChIKeyVIDHNFQAUPZVNV-UHFFFAOYSA-N
MW363.81 g/mol
LogP4.31
Rot. Bonds4

About 6-(5-chloro-2-methylanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide

6-(5-chloro-2-methylanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide (PubChem CID 109358385) has the molecular formula C19H14ClN5O and a molecular weight of 363.81 g/mol. Its IUPAC name is 6-(5-chloro-2-methylanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(5-chloro-2-methylanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide
PubChem CID109358385
Molecular FormulaC19H14ClN5O
Molecular Weight363.81 g/mol
Exact Mass363.09
IUPAC Name6-(5-chloro-2-methylanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(Cl)cc1Nc1cc(C(=O)Nc2ccccc2C#N)ncn1
InChIInChI=1S/C19H14ClN5O/c1-12-6-7-14(20)8-16(12)24-18-9-17(22-11-23-18)19(26)25-15-5-3-2-4-13(15)10-21/h2-9,11H,1H3,(H,25,26)(H,22,23,24)
InChIKeyVIDHNFQAUPZVNV-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

N-(2-cyanophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109357114
N-(2-cyanophenyl)-6-(3,5-dichloroanilino)pyrimidine-4-carboxamide
CID 109359869
4-(5-chloro-2-methylanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 109221189
N-(2-cyanophenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109356261
N-(5-chloro-2-methylphenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358391
N-(2-cyanophenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109359804
N-(5-chloro-2-methylphenyl)-6-(3-cyanoanilino)pyrimidine-4-carboxamide
CID 109358414
N-(2-cyanophenyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109359290
6-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109358388
6-(2-cyanoanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109356188
6-(2-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109359923
1-(5-chloro-2-methylphenyl)-3-(2-cyanophenyl)urea
CID 17180173

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methylanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(5-chloro-2-methylanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide (CID 109358385) is 6-(5-chloro-2-methylanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(5-chloro-2-methylanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(5-chloro-2-methylanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide is Cc1ccc(Cl)cc1Nc1cc(C(=O)Nc2ccccc2C#N)ncn1.
What is the InChIKey of 6-(5-chloro-2-methylanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide?
The InChIKey is VIDHNFQAUPZVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O/c1-12-6-7-14(20)8-16(12)24-18-9-17(22-11-23-18)19(26)25-15-5-3-2-4-13(15)10-21/h2-9,11H,1H3,(H,25,26)(H,22,23,24).
What are the key properties of 6-(5-chloro-2-methylanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide?
6-(5-chloro-2-methylanilino)-N-(2-cyanophenyl)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 6-(5-chloro-2-methylanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109358385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).