N-(4-cyanophenyl)-2-(3,5-dichloroanilino)pyrimidine-4-carboxamide

C18H11Cl2N5O — CID 109318737

IUPACN-(4-cyanophenyl)-2-(3,5-dichloroanilino)pyrimidine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccnc(Nc3cc(Cl)cc(Cl)c3)n2)cc1
InChIInChI=1S/C18H11Cl2N5O/c19-12-7-13(20)9-15(8-12)24-18-22-6-5-16(25-18)17(26)23-14-3-1-11(10-21)2-4-14/h1-9H,(H,23,26)(H,22,24,25)
InChIKeyYAAYBOFCAMCYJT-UHFFFAOYSA-N
MW384.23 g/mol
LogP4.65
Rot. Bonds4

About N-(4-cyanophenyl)-2-(3,5-dichloroanilino)pyrimidine-4-carboxamide

N-(4-cyanophenyl)-2-(3,5-dichloroanilino)pyrimidine-4-carboxamide (PubChem CID 109318737) has the molecular formula C18H11Cl2N5O and a molecular weight of 384.23 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(3,5-dichloroanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(3,5-dichloroanilino)pyrimidine-4-carboxamide
PubChem CID109318737
Molecular FormulaC18H11Cl2N5O
Molecular Weight384.23 g/mol
Exact Mass383.03
IUPAC NameN-(4-cyanophenyl)-2-(3,5-dichloroanilino)pyrimidine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccnc(Nc3cc(Cl)cc(Cl)c3)n2)cc1
InChIInChI=1S/C18H11Cl2N5O/c19-12-7-13(20)9-15(8-12)24-18-22-6-5-16(25-18)17(26)23-14-3-1-11(10-21)2-4-14/h1-9H,(H,23,26)(H,22,24,25)
InChIKeyYAAYBOFCAMCYJT-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

2-(4-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109318827
N-(4-cyanophenyl)-2-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109318088
N-(4-cyanophenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109317646
2-[(4-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyrimidine-4-carboxamide
CID 109306028
2-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109318102
2-(4-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109318438
2-[2-(4-chlorophenyl)ethylamino]-N-(4-cyanophenyl)pyrimidine-4-carboxamide
CID 109309781
2-(3-chloro-4-fluoroanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109317340
N-(4-cyanophenyl)-2-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109311519
N-(3-cyanophenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109316121
2-(3,5-dimethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109314095
2-(3,5-dichloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315373

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(3,5-dichloroanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-2-(3,5-dichloroanilino)pyrimidine-4-carboxamide (CID 109318737) is N-(4-cyanophenyl)-2-(3,5-dichloroanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(3,5-dichloroanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(3,5-dichloroanilino)pyrimidine-4-carboxamide is N#Cc1ccc(NC(=O)c2ccnc(Nc3cc(Cl)cc(Cl)c3)n2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-(3,5-dichloroanilino)pyrimidine-4-carboxamide?
The InChIKey is YAAYBOFCAMCYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2N5O/c19-12-7-13(20)9-15(8-12)24-18-22-6-5-16(25-18)17(26)23-14-3-1-11(10-21)2-4-14/h1-9H,(H,23,26)(H,22,24,25).
What are the key properties of N-(4-cyanophenyl)-2-(3,5-dichloroanilino)pyrimidine-4-carboxamide?
N-(4-cyanophenyl)-2-(3,5-dichloroanilino)pyrimidine-4-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-(4-cyanophenyl)-2-(3,5-dichloroanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109318737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).