6-(3-chloro-4-fluoroanilino)-N-(4-cyanophenyl)pyrimidine-4-carboxamide

C18H11ClFN5O — CID 109358549

IUPAC6-(3-chloro-4-fluoroanilino)-N-(4-cyanophenyl)pyrimidine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc(Nc3ccc(F)c(Cl)c3)ncn2)cc1
InChIInChI=1S/C18H11ClFN5O/c19-14-7-13(5-6-15(14)20)24-17-8-16(22-10-23-17)18(26)25-12-3-1-11(9-21)2-4-12/h1-8,10H,(H,25,26)(H,22,23,24)
InChIKeyOYMJJTYTTZMZJR-UHFFFAOYSA-N
MW367.77 g/mol
LogP4.14
Rot. Bonds4

About 6-(3-chloro-4-fluoroanilino)-N-(4-cyanophenyl)pyrimidine-4-carboxamide

6-(3-chloro-4-fluoroanilino)-N-(4-cyanophenyl)pyrimidine-4-carboxamide (PubChem CID 109358549) has the molecular formula C18H11ClFN5O and a molecular weight of 367.77 g/mol. Its IUPAC name is 6-(3-chloro-4-fluoroanilino)-N-(4-cyanophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-chloro-4-fluoroanilino)-N-(4-cyanophenyl)pyrimidine-4-carboxamide
PubChem CID109358549
Molecular FormulaC18H11ClFN5O
Molecular Weight367.77 g/mol
Exact Mass367.06
IUPAC Name6-(3-chloro-4-fluoroanilino)-N-(4-cyanophenyl)pyrimidine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc(Nc3ccc(F)c(Cl)c3)ncn2)cc1
InChIInChI=1S/C18H11ClFN5O/c19-14-7-13(5-6-15(14)20)24-17-8-16(22-10-23-17)18(26)25-12-3-1-11(9-21)2-4-12/h1-8,10H,(H,25,26)(H,22,23,24)
InChIKeyOYMJJTYTTZMZJR-UHFFFAOYSA-N
XLogP4.14
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.77
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-chloro-4-fluoroanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109358265
N-(4-cyanophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357985
N-(4-bromophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
CID 109358687
N-(3-chlorophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
CID 109358217
N-(3-chloro-4-methoxyphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
CID 109358631
N-(4-cyanophenyl)-6-[4-(dimethylamino)anilino]pyrimidine-4-carboxamide
CID 109359568
N-(4-chloro-2-methylphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
CID 109358471
6-(4-cyanoanilino)-N-(3,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109357075
N-(3-chloro-4-fluorophenyl)-6-(4-methoxyanilino)pyrimidine-4-carboxamide
CID 109358556
6-(4-cyanoanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109359086
N-(3-chloro-4-fluorophenyl)-6-[4-(dimethylamino)anilino]pyrimidine-4-carboxamide
CID 109358564
methyl 3-[[6-[(4-cyanophenyl)carbamoyl]pyrimidin-4-yl]amino]benzoate
CID 109359511

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-fluoroanilino)-N-(4-cyanophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3-chloro-4-fluoroanilino)-N-(4-cyanophenyl)pyrimidine-4-carboxamide (CID 109358549) is 6-(3-chloro-4-fluoroanilino)-N-(4-cyanophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-chloro-4-fluoroanilino)-N-(4-cyanophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-chloro-4-fluoroanilino)-N-(4-cyanophenyl)pyrimidine-4-carboxamide is N#Cc1ccc(NC(=O)c2cc(Nc3ccc(F)c(Cl)c3)ncn2)cc1.
What is the InChIKey of 6-(3-chloro-4-fluoroanilino)-N-(4-cyanophenyl)pyrimidine-4-carboxamide?
The InChIKey is OYMJJTYTTZMZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN5O/c19-14-7-13(5-6-15(14)20)24-17-8-16(22-10-23-17)18(26)25-12-3-1-11(9-21)2-4-12/h1-8,10H,(H,25,26)(H,22,23,24).
What are the key properties of 6-(3-chloro-4-fluoroanilino)-N-(4-cyanophenyl)pyrimidine-4-carboxamide?
6-(3-chloro-4-fluoroanilino)-N-(4-cyanophenyl)pyrimidine-4-carboxamide has a molecular weight of 367.77 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-fluoroanilino)-N-(4-cyanophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109358549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).