N-(3-cyanophenyl)-2-(2,3-dichloroanilino)pyrimidine-5-carboxamide

C18H11Cl2N5O — CID 109270661

IUPACN-(3-cyanophenyl)-2-(2,3-dichloroanilino)pyrimidine-5-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cnc(Nc3cccc(Cl)c3Cl)nc2)c1
InChIInChI=1S/C18H11Cl2N5O/c19-14-5-2-6-15(16(14)20)25-18-22-9-12(10-23-18)17(26)24-13-4-1-3-11(7-13)8-21/h1-7,9-10H,(H,24,26)(H,22,23,25)
InChIKeyDIQPOKWWAWJBPH-UHFFFAOYSA-N
MW384.23 g/mol
LogP4.65
Rot. Bonds4

About N-(3-cyanophenyl)-2-(2,3-dichloroanilino)pyrimidine-5-carboxamide

N-(3-cyanophenyl)-2-(2,3-dichloroanilino)pyrimidine-5-carboxamide (PubChem CID 109270661) has the molecular formula C18H11Cl2N5O and a molecular weight of 384.23 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(2,3-dichloroanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(2,3-dichloroanilino)pyrimidine-5-carboxamide
PubChem CID109270661
Molecular FormulaC18H11Cl2N5O
Molecular Weight384.23 g/mol
Exact Mass383.03
IUPAC NameN-(3-cyanophenyl)-2-(2,3-dichloroanilino)pyrimidine-5-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cnc(Nc3cccc(Cl)c3Cl)nc2)c1
InChIInChI=1S/C18H11Cl2N5O/c19-14-5-2-6-15(16(14)20)25-18-22-9-12(10-23-18)17(26)24-13-4-1-3-11(7-13)8-21/h1-7,9-10H,(H,24,26)(H,22,23,25)
InChIKeyDIQPOKWWAWJBPH-UHFFFAOYSA-N
XLogP4.65
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.23
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanophenyl)-5-(2,3-dichloroanilino)pyrazine-2-carboxamide
CID 109294627
6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109163549
2-(3-cyanoanilino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109267947
2-(2,3-dichloroanilino)-N-hydroxypyrimidine-5-carboxamide
CID 74763642
2-(2,3-dichloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
CID 109267049
N-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyrimidine-5-carboxamide
CID 109257471
N-(3-chlorophenyl)-2-(2,6-dichloroanilino)pyrimidine-5-carboxamide
CID 109268750
N-(3-cyanophenyl)-2-(2-ethyl-6-methylanilino)pyrimidine-5-carboxamide
CID 109267799
methyl 2-[[2-(3-cyanoanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109270197
2-(3-cyanoanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266441
N-(3-cyanophenyl)-2-(2,3-dichloroanilino)acetamide
CID 42069791
N-(2,3-dichlorophenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109268445

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(2,3-dichloroanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-2-(2,3-dichloroanilino)pyrimidine-5-carboxamide (CID 109270661) is N-(3-cyanophenyl)-2-(2,3-dichloroanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(2,3-dichloroanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(2,3-dichloroanilino)pyrimidine-5-carboxamide is N#Cc1cccc(NC(=O)c2cnc(Nc3cccc(Cl)c3Cl)nc2)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(2,3-dichloroanilino)pyrimidine-5-carboxamide?
The InChIKey is DIQPOKWWAWJBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2N5O/c19-14-5-2-6-15(16(14)20)25-18-22-9-12(10-23-18)17(26)24-13-4-1-3-11(7-13)8-21/h1-7,9-10H,(H,24,26)(H,22,23,25).
What are the key properties of N-(3-cyanophenyl)-2-(2,3-dichloroanilino)pyrimidine-5-carboxamide?
N-(3-cyanophenyl)-2-(2,3-dichloroanilino)pyrimidine-5-carboxamide has a molecular weight of 384.23 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(2,3-dichloroanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109270661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).