6-(4-fluoroanilino)-2-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide

C18H16FN5O — CID 109371141

IUPAC6-(4-fluoroanilino)-2-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(F)cc2)cc(C(=O)NCc2cccnc2)n1
InChIInChI=1S/C18H16FN5O/c1-12-22-16(18(25)21-11-13-3-2-8-20-10-13)9-17(23-12)24-15-6-4-14(19)5-7-15/h2-10H,11H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyRGSCSQMYEZTUMC-UHFFFAOYSA-N
MW337.36 g/mol
LogP2.99
Rot. Bonds5

About 6-(4-fluoroanilino)-2-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide

6-(4-fluoroanilino)-2-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109371141) has the molecular formula C18H16FN5O and a molecular weight of 337.36 g/mol. Its IUPAC name is 6-(4-fluoroanilino)-2-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-fluoroanilino)-2-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109371141
Molecular FormulaC18H16FN5O
Molecular Weight337.36 g/mol
Exact Mass337.13
IUPAC Name6-(4-fluoroanilino)-2-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(F)cc2)cc(C(=O)NCc2cccnc2)n1
InChIInChI=1S/C18H16FN5O/c1-12-22-16(18(25)21-11-13-3-2-8-20-10-13)9-17(23-12)24-15-6-4-14(19)5-7-15/h2-10H,11H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyRGSCSQMYEZTUMC-UHFFFAOYSA-N
XLogP2.99
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(4-fluoroanilino)-2-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[[2-methyl-6-(pyridin-3-ylmethylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109371174
2-methyl-6-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109371117
N-[(4-chlorophenyl)methyl]-6-(4-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 109370177
6-(4-tert-butylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369902
2-methyl-6-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109360410
6-(4-fluoroanilino)-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109371585
6-(2-ethoxyanilino)-2-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109371157
6-(5-chloro-2-methylanilino)-2-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109371146
N-(1,3-benzodioxol-5-ylmethyl)-6-(4-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 109370567
N-benzyl-6-(4-tert-butylanilino)-2-methylpyrimidine-4-carboxamide
CID 109368433
6-(5-chloro-2-methoxyanilino)-2-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109371152
6-(3-cyanoanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369939

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoroanilino)-2-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-fluoroanilino)-2-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide (CID 109371141) is 6-(4-fluoroanilino)-2-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-fluoroanilino)-2-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-fluoroanilino)-2-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide is Cc1nc(Nc2ccc(F)cc2)cc(C(=O)NCc2cccnc2)n1.
What is the InChIKey of 6-(4-fluoroanilino)-2-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is RGSCSQMYEZTUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O/c1-12-22-16(18(25)21-11-13-3-2-8-20-10-13)9-17(23-12)24-15-6-4-14(19)5-7-15/h2-10H,11H2,1H3,(H,21,25)(H,22,23,24).
What are the key properties of 6-(4-fluoroanilino)-2-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
6-(4-fluoroanilino)-2-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 337.36 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoroanilino)-2-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109371141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).