6-(3-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide

C19H14FN5O — CID 112849978

IUPAC6-(3-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2cccc(C#N)c2)cc(C(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C19H14FN5O/c1-12-22-17(19(26)25-15-7-5-14(20)6-8-15)10-18(23-12)24-16-4-2-3-13(9-16)11-21/h2-10H,1H3,(H,25,26)(H,22,23,24)
InChIKeyQTNRMNKKQFHKJI-UHFFFAOYSA-N
MW347.35 g/mol
LogP3.79
Rot. Bonds4

About 6-(3-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide

6-(3-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 112849978) has the molecular formula C19H14FN5O and a molecular weight of 347.35 g/mol. Its IUPAC name is 6-(3-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID112849978
Molecular FormulaC19H14FN5O
Molecular Weight347.35 g/mol
Exact Mass347.12
IUPAC Name6-(3-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2cccc(C#N)c2)cc(C(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C19H14FN5O/c1-12-22-17(19(26)25-15-7-5-14(20)6-8-15)10-18(23-12)24-16-4-2-3-13(9-16)11-21/h2-10H,1H3,(H,25,26)(H,22,23,24)
InChIKeyQTNRMNKKQFHKJI-UHFFFAOYSA-N
XLogP3.79
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-cyanoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848468
6-(4-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849979
6-(3-cyanoanilino)-N-(4-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849468
6-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369939
6-(3-chloroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849930
6-(3-acetamidoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849955
6-(3-cyanoanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128566
N-(4-cyanophenyl)-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 112851206
N-(3-cyanophenyl)-2-methyl-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 112848112
6-(4-chloroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849931
6-(3-chloro-4-fluoroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849936
6-(3-cyanoanilino)-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360365

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide (CID 112849978) is 6-(3-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide is Cc1nc(Nc2cccc(C#N)c2)cc(C(=O)Nc2ccc(F)cc2)n1.
What is the InChIKey of 6-(3-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is QTNRMNKKQFHKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O/c1-12-22-17(19(26)25-15-7-5-14(20)6-8-15)10-18(23-12)24-16-4-2-3-13(9-16)11-21/h2-10H,1H3,(H,25,26)(H,22,23,24).
What are the key properties of 6-(3-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide?
6-(3-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 347.35 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112849978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).