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

C18H12FN5O — CID 109357985

IUPACN-(4-cyanophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc(Nc3ccc(F)cc3)ncn2)cc1
InChIInChI=1S/C18H12FN5O/c19-13-3-7-14(8-4-13)23-17-9-16(21-11-22-17)18(25)24-15-5-1-12(10-20)2-6-15/h1-9,11H,(H,24,25)(H,21,22,23)
InChIKeyOVCQWFVXPJRQCV-UHFFFAOYSA-N
MW333.33 g/mol
LogP3.48
Rot. Bonds4

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

N-(4-cyanophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide (PubChem CID 109357985) has the molecular formula C18H12FN5O and a molecular weight of 333.33 g/mol. Its IUPAC name is N-(4-cyanophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
PubChem CID109357985
Molecular FormulaC18H12FN5O
Molecular Weight333.33 g/mol
Exact Mass333.10
IUPAC NameN-(4-cyanophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc(Nc3ccc(F)cc3)ncn2)cc1
InChIInChI=1S/C18H12FN5O/c19-13-3-7-14(8-4-13)23-17-9-16(21-11-22-17)18(25)24-15-5-1-12(10-20)2-6-15/h1-9,11H,(H,24,25)(H,21,22,23)
InChIKeyOVCQWFVXPJRQCV-UHFFFAOYSA-N
XLogP3.48
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
CID 109358687
6-(3-chloro-4-fluoroanilino)-N-(4-cyanophenyl)pyrimidine-4-carboxamide
CID 109358549
N-(4-cyanophenyl)-6-[4-(dimethylamino)anilino]pyrimidine-4-carboxamide
CID 109359568
6-(4-cyanoanilino)-N-(3,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109357075
6-(4-cyanoanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109359086
N-(4-fluorophenyl)-6-[4-(methylcarbamoyl)anilino]pyrimidine-4-carboxamide
CID 46179432
N-(3-chlorophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
CID 109358217
6-(4-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849979
N-(4-cyanophenyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109359625
5-(4-cyanoanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109199006
6-(4-ethylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109357328
6-(4-acetamidoanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109359458

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide (CID 109357985) is N-(4-cyanophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide is N#Cc1ccc(NC(=O)c2cc(Nc3ccc(F)cc3)ncn2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide?
The InChIKey is OVCQWFVXPJRQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN5O/c19-13-3-7-14(8-4-13)23-17-9-16(21-11-22-17)18(25)24-15-5-1-12(10-20)2-6-15/h1-9,11H,(H,24,25)(H,21,22,23).
What are the key properties of N-(4-cyanophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide?
N-(4-cyanophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide has a molecular weight of 333.33 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109357985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).