2-(4-cyanoanilino)-N-(2-fluorophenyl)pyrimidine-5-carboxamide

C18H12FN5O — CID 109268383

IUPAC2-(4-cyanoanilino)-N-(2-fluorophenyl)pyrimidine-5-carboxamide
SMILESN#Cc1ccc(Nc2ncc(C(=O)Nc3ccccc3F)cn2)cc1
InChIInChI=1S/C18H12FN5O/c19-15-3-1-2-4-16(15)24-17(25)13-10-21-18(22-11-13)23-14-7-5-12(9-20)6-8-14/h1-8,10-11H,(H,24,25)(H,21,22,23)
InChIKeyNKVJZWQKAPYVEY-UHFFFAOYSA-N
MW333.33 g/mol
LogP3.48
Rot. Bonds4

About 2-(4-cyanoanilino)-N-(2-fluorophenyl)pyrimidine-5-carboxamide

2-(4-cyanoanilino)-N-(2-fluorophenyl)pyrimidine-5-carboxamide (PubChem CID 109268383) has the molecular formula C18H12FN5O and a molecular weight of 333.33 g/mol. Its IUPAC name is 2-(4-cyanoanilino)-N-(2-fluorophenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-cyanoanilino)-N-(2-fluorophenyl)pyrimidine-5-carboxamide
PubChem CID109268383
Molecular FormulaC18H12FN5O
Molecular Weight333.33 g/mol
Exact Mass333.10
IUPAC Name2-(4-cyanoanilino)-N-(2-fluorophenyl)pyrimidine-5-carboxamide
SMILESN#Cc1ccc(Nc2ncc(C(=O)Nc3ccccc3F)cn2)cc1
InChIInChI=1S/C18H12FN5O/c19-15-3-1-2-4-16(15)24-17(25)13-10-21-18(22-11-13)23-14-7-5-12(9-20)6-8-14/h1-8,10-11H,(H,24,25)(H,21,22,23)
InChIKeyNKVJZWQKAPYVEY-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

2-(4-cyanoanilino)-N-(2,6-difluorophenyl)pyrimidine-5-carboxamide
CID 109270726
N-(4-cyanophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109270050
2-(4-cyanoanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336829
2-(3-chloro-4-methylanilino)-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109268328
2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide
CID 109265090
2-(4-tert-butylanilino)-N-(2-cyanophenyl)pyrimidine-5-carboxamide
CID 109268313
2-(4-cyanoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259496
methyl 2-[[5-[(4-cyanophenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109270211
N-(2-cyanophenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109267994
N-tert-butyl-2-(4-cyanoanilino)pyrimidine-5-carboxamide
CID 109262951
N-(4-cyanophenyl)-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide
CID 109270313
2-anilino-N-(2,3,4-trifluorophenyl)pyrimidine-5-carboxamide
CID 109265275

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanoanilino)-N-(2-fluorophenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-cyanoanilino)-N-(2-fluorophenyl)pyrimidine-5-carboxamide (CID 109268383) is 2-(4-cyanoanilino)-N-(2-fluorophenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-cyanoanilino)-N-(2-fluorophenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-cyanoanilino)-N-(2-fluorophenyl)pyrimidine-5-carboxamide is N#Cc1ccc(Nc2ncc(C(=O)Nc3ccccc3F)cn2)cc1.
What is the InChIKey of 2-(4-cyanoanilino)-N-(2-fluorophenyl)pyrimidine-5-carboxamide?
The InChIKey is NKVJZWQKAPYVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN5O/c19-15-3-1-2-4-16(15)24-17(25)13-10-21-18(22-11-13)23-14-7-5-12(9-20)6-8-14/h1-8,10-11H,(H,24,25)(H,21,22,23).
What are the key properties of 2-(4-cyanoanilino)-N-(2-fluorophenyl)pyrimidine-5-carboxamide?
2-(4-cyanoanilino)-N-(2-fluorophenyl)pyrimidine-5-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 2-(4-cyanoanilino)-N-(2-fluorophenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109268383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).