N-(2,3-dichlorophenyl)-2-(3-methylanilino)pyrimidine-4-carboxamide

C18H14Cl2N4O — CID 109313884

IUPACN-(2,3-dichlorophenyl)-2-(3-methylanilino)pyrimidine-4-carboxamide
SMILESCc1cccc(Nc2nccc(C(=O)Nc3cccc(Cl)c3Cl)n2)c1
InChIInChI=1S/C18H14Cl2N4O/c1-11-4-2-5-12(10-11)22-18-21-9-8-15(24-18)17(25)23-14-7-3-6-13(19)16(14)20/h2-10H,1H3,(H,23,25)(H,21,22,24)
InChIKeyOHQKIIAWCFKXIH-UHFFFAOYSA-N
MW373.24 g/mol
LogP5.09
Rot. Bonds4

About N-(2,3-dichlorophenyl)-2-(3-methylanilino)pyrimidine-4-carboxamide

N-(2,3-dichlorophenyl)-2-(3-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109313884) has the molecular formula C18H14Cl2N4O and a molecular weight of 373.24 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-(3-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-(3-methylanilino)pyrimidine-4-carboxamide
PubChem CID109313884
Molecular FormulaC18H14Cl2N4O
Molecular Weight373.24 g/mol
Exact Mass372.05
IUPAC NameN-(2,3-dichlorophenyl)-2-(3-methylanilino)pyrimidine-4-carboxamide
SMILESCc1cccc(Nc2nccc(C(=O)Nc3cccc(Cl)c3Cl)n2)c1
InChIInChI=1S/C18H14Cl2N4O/c1-11-4-2-5-12(10-11)22-18-21-9-8-15(24-18)17(25)23-14-7-3-6-13(19)16(14)20/h2-10H,1H3,(H,23,25)(H,21,22,24)
InChIKeyOHQKIIAWCFKXIH-UHFFFAOYSA-N
XLogP5.09
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.24
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dichlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109315169
N-(2-bromo-4-methylphenyl)-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109313868
2-(3-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109316816
2-anilino-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313397
2-(4-chloroanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313921
N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315577
N-(2,3-dichlorophenyl)-5-(3-methylanilino)pyrazine-2-carboxamide
CID 109290002
N-(2-chlorophenyl)-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide
CID 109316799
methyl 3-[[4-[(2-chlorophenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109316787
methyl 3-[[4-[(3-methylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109313951
2-(2-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109316704
2-(3-acetamidoanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109315621

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-(3-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-(3-methylanilino)pyrimidine-4-carboxamide (CID 109313884) is N-(2,3-dichlorophenyl)-2-(3-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-(3-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-(3-methylanilino)pyrimidine-4-carboxamide is Cc1cccc(Nc2nccc(C(=O)Nc3cccc(Cl)c3Cl)n2)c1.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-(3-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is OHQKIIAWCFKXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O/c1-11-4-2-5-12(10-11)22-18-21-9-8-15(24-18)17(25)23-14-7-3-6-13(19)16(14)20/h2-10H,1H3,(H,23,25)(H,21,22,24).
What are the key properties of N-(2,3-dichlorophenyl)-2-(3-methylanilino)pyrimidine-4-carboxamide?
N-(2,3-dichlorophenyl)-2-(3-methylanilino)pyrimidine-4-carboxamide has a molecular weight of 373.24 g/mol, XLogP of 5.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-(3-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109313884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).