N-(5-chloro-2-methylphenyl)-6-(3-cyanoanilino)pyrimidine-4-carboxamide

C19H14ClN5O — CID 109358414

IUPACN-(5-chloro-2-methylphenyl)-6-(3-cyanoanilino)pyrimidine-4-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cc(Nc2cccc(C#N)c2)ncn1
InChIInChI=1S/C19H14ClN5O/c1-12-5-6-14(20)8-16(12)25-19(26)17-9-18(23-11-22-17)24-15-4-2-3-13(7-15)10-21/h2-9,11H,1H3,(H,25,26)(H,22,23,24)
InChIKeyKSCNHWSPGAMAMV-UHFFFAOYSA-N
MW363.81 g/mol
LogP4.31
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-6-(3-cyanoanilino)pyrimidine-4-carboxamide

N-(5-chloro-2-methylphenyl)-6-(3-cyanoanilino)pyrimidine-4-carboxamide (PubChem CID 109358414) has the molecular formula C19H14ClN5O and a molecular weight of 363.81 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-6-(3-cyanoanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-6-(3-cyanoanilino)pyrimidine-4-carboxamide
PubChem CID109358414
Molecular FormulaC19H14ClN5O
Molecular Weight363.81 g/mol
Exact Mass363.09
IUPAC NameN-(5-chloro-2-methylphenyl)-6-(3-cyanoanilino)pyrimidine-4-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cc(Nc2cccc(C#N)c2)ncn1
InChIInChI=1S/C19H14ClN5O/c1-12-5-6-14(20)8-16(12)25-19(26)17-9-18(23-11-22-17)24-15-4-2-3-13(7-15)10-21/h2-9,11H,1H3,(H,25,26)(H,22,23,24)
InChIKeyKSCNHWSPGAMAMV-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-(3-cyanoanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356910
6-(3-cyanoanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109357156
6-(3-acetylanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109358400
N-(4-chloro-2-methylphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
CID 109358471
6-(5-chloro-2-methylanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide
CID 109358385
6-(4-acetamidoanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109359458
N-(3-chlorophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
CID 109358217
6-(3-cyanoanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109359085
2-(3-cyanoanilino)-N-(2,5-dichlorophenyl)pyridine-4-carboxamide
CID 109178943
6-(3-cyanoanilino)-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109359281
N-(5-chloro-2-methylphenyl)-3-cyanobenzamide
CID 7719573
6-(3-cyanoanilino)-N-pentylpyrimidine-4-carboxamide
CID 109354614

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-6-(3-cyanoanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-6-(3-cyanoanilino)pyrimidine-4-carboxamide (CID 109358414) is N-(5-chloro-2-methylphenyl)-6-(3-cyanoanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-6-(3-cyanoanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-6-(3-cyanoanilino)pyrimidine-4-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1cc(Nc2cccc(C#N)c2)ncn1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-6-(3-cyanoanilino)pyrimidine-4-carboxamide?
The InChIKey is KSCNHWSPGAMAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O/c1-12-5-6-14(20)8-16(12)25-19(26)17-9-18(23-11-22-17)24-15-4-2-3-13(7-15)10-21/h2-9,11H,1H3,(H,25,26)(H,22,23,24).
What are the key properties of N-(5-chloro-2-methylphenyl)-6-(3-cyanoanilino)pyrimidine-4-carboxamide?
N-(5-chloro-2-methylphenyl)-6-(3-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-(5-chloro-2-methylphenyl)-6-(3-cyanoanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109358414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).