N-(3-chlorophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide

C18H12ClN5O — CID 109358217

IUPACN-(3-chlorophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
SMILESN#Cc1ccc(Nc2cc(C(=O)Nc3cccc(Cl)c3)ncn2)cc1
InChIInChI=1S/C18H12ClN5O/c19-13-2-1-3-15(8-13)24-18(25)16-9-17(22-11-21-16)23-14-6-4-12(10-20)5-7-14/h1-9,11H,(H,24,25)(H,21,22,23)
InChIKeyIAHZDSRHCNBZOJ-UHFFFAOYSA-N
MW349.78 g/mol
LogP4.00
Rot. Bonds4

About N-(3-chlorophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide

N-(3-chlorophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide (PubChem CID 109358217) has the molecular formula C18H12ClN5O and a molecular weight of 349.78 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
PubChem CID109358217
Molecular FormulaC18H12ClN5O
Molecular Weight349.78 g/mol
Exact Mass349.07
IUPAC NameN-(3-chlorophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
SMILESN#Cc1ccc(Nc2cc(C(=O)Nc3cccc(Cl)c3)ncn2)cc1
InChIInChI=1S/C18H12ClN5O/c19-13-2-1-3-15(8-13)24-18(25)16-9-17(22-11-21-16)23-14-6-4-12(10-20)5-7-14/h1-9,11H,(H,24,25)(H,21,22,23)
InChIKeyIAHZDSRHCNBZOJ-UHFFFAOYSA-N
XLogP4.00
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.78
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357928
N-(4-chloro-2-methylphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
CID 109358471
6-(4-acetamidoanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109359458
N-(4-bromophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
CID 109358687
N-(4-cyanophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357985
6-(4-cyanoanilino)-N-(3,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109357075
6-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109358177
6-(3-chloro-4-fluoroanilino)-N-(4-cyanophenyl)pyrimidine-4-carboxamide
CID 109358549
N-(3-chloro-4-methoxyphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
CID 109358631
6-N-(3-chlorophenyl)-2-N-(4-cyanophenyl)pyridine-2,6-dicarboxamide
CID 109100845
methyl 3-[[6-[(4-cyanophenyl)carbamoyl]pyrimidin-4-yl]amino]benzoate
CID 109359511
N-(4-cyanophenyl)-6-[4-(dimethylamino)anilino]pyrimidine-4-carboxamide
CID 109359568

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide (CID 109358217) is N-(3-chlorophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide is N#Cc1ccc(Nc2cc(C(=O)Nc3cccc(Cl)c3)ncn2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide?
The InChIKey is IAHZDSRHCNBZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN5O/c19-13-2-1-3-15(8-13)24-18(25)16-9-17(22-11-21-16)23-14-6-4-12(10-20)5-7-14/h1-9,11H,(H,24,25)(H,21,22,23).
What are the key properties of N-(3-chlorophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide?
N-(3-chlorophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide has a molecular weight of 349.78 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109358217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).