N-(2-cyanophenyl)-6-(3,5-dichloroanilino)pyrimidine-4-carboxamide

C18H11Cl2N5O — CID 109359869

IUPACN-(2-cyanophenyl)-6-(3,5-dichloroanilino)pyrimidine-4-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1cc(Nc2cc(Cl)cc(Cl)c2)ncn1
InChIInChI=1S/C18H11Cl2N5O/c19-12-5-13(20)7-14(6-12)24-17-8-16(22-10-23-17)18(26)25-15-4-2-1-3-11(15)9-21/h1-8,10H,(H,25,26)(H,22,23,24)
InChIKeyVCIILBFMBWDCIJ-UHFFFAOYSA-N
MW384.23 g/mol
LogP4.65
Rot. Bonds4

About N-(2-cyanophenyl)-6-(3,5-dichloroanilino)pyrimidine-4-carboxamide

N-(2-cyanophenyl)-6-(3,5-dichloroanilino)pyrimidine-4-carboxamide (PubChem CID 109359869) has the molecular formula C18H11Cl2N5O and a molecular weight of 384.23 g/mol. Its IUPAC name is N-(2-cyanophenyl)-6-(3,5-dichloroanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-6-(3,5-dichloroanilino)pyrimidine-4-carboxamide
PubChem CID109359869
Molecular FormulaC18H11Cl2N5O
Molecular Weight384.23 g/mol
Exact Mass383.03
IUPAC NameN-(2-cyanophenyl)-6-(3,5-dichloroanilino)pyrimidine-4-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1cc(Nc2cc(Cl)cc(Cl)c2)ncn1
InChIInChI=1S/C18H11Cl2N5O/c19-12-5-13(20)7-14(6-12)24-17-8-16(22-10-23-17)18(26)25-15-4-2-1-3-11(15)9-21/h1-8,10H,(H,25,26)(H,22,23,24)
InChIKeyVCIILBFMBWDCIJ-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-(2-cyanophenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109356261
6-(5-chloro-2-methylanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide
CID 109358385
N-(2-cyanophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109357114
N-(2-cyanophenyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109359290
N-(2-cyanophenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109359804
6-(2-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109359923
6-(2-cyanoanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109356188
N-(2-cyanophenyl)-5-(3,5-dichloroanilino)pyridine-3-carboxamide
CID 109246343
N-[2-(3-chlorophenyl)ethyl]-6-(2-cyanoanilino)pyrimidine-4-carboxamide
CID 109355479
2-(2-cyanoanilino)-N-(3,5-dichlorophenyl)pyridine-4-carboxamide
CID 109178950
N-(2-cyanophenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109344223
4-(2-cyanoanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 109222697

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-6-(3,5-dichloroanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-6-(3,5-dichloroanilino)pyrimidine-4-carboxamide (CID 109359869) is N-(2-cyanophenyl)-6-(3,5-dichloroanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-6-(3,5-dichloroanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-6-(3,5-dichloroanilino)pyrimidine-4-carboxamide is N#Cc1ccccc1NC(=O)c1cc(Nc2cc(Cl)cc(Cl)c2)ncn1.
What is the InChIKey of N-(2-cyanophenyl)-6-(3,5-dichloroanilino)pyrimidine-4-carboxamide?
The InChIKey is VCIILBFMBWDCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2N5O/c19-12-5-13(20)7-14(6-12)24-17-8-16(22-10-23-17)18(26)25-15-4-2-1-3-11(15)9-21/h1-8,10H,(H,25,26)(H,22,23,24).
What are the key properties of N-(2-cyanophenyl)-6-(3,5-dichloroanilino)pyrimidine-4-carboxamide?
N-(2-cyanophenyl)-6-(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-(2-cyanophenyl)-6-(3,5-dichloroanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109359869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).