N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidine-5-carboxamide

C14H14FN3O — CID 110852457

IUPACN-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidine-5-carboxamide
SMILESCc1ncncc1C(=O)NCCc1ccccc1F
InChIInChI=1S/C14H14FN3O/c1-10-12(8-16-9-18-10)14(19)17-7-6-11-4-2-3-5-13(11)15/h2-5,8-9H,6-7H2,1H3,(H,17,19)
InChIKeyKASBKGVLSIPKFK-UHFFFAOYSA-N
MW259.28 g/mol
LogP1.90
Rot. Bonds4

About N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidine-5-carboxamide

N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidine-5-carboxamide (PubChem CID 110852457) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidine-5-carboxamide
PubChem CID110852457
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidine-5-carboxamide
SMILESCc1ncncc1C(=O)NCCc1ccccc1F
InChIInChI=1S/C14H14FN3O/c1-10-12(8-16-9-18-10)14(19)17-7-6-11-4-2-3-5-13(11)15/h2-5,8-9H,6-7H2,1H3,(H,17,19)
InChIKeyKASBKGVLSIPKFK-UHFFFAOYSA-N
XLogP1.90
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidine-5-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

N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 110852445
1-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-5-methylpyrazole-4-carboxamide
CID 43049949
N-[2-(2-methylphenyl)ethyl]-4-propylpyrimidine-5-carboxamide
CID 77084278
N-[2-(2-fluorophenyl)ethyl]-4-hydrazinyl-6-methylpyridine-3-carboxamide
CID 81240448
N-[2-(2-fluorophenyl)ethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110691877
N-[2-(2-fluorophenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 62171019
2-ethoxy-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 27847921
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
5-ethyl-N-[2-(2-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 72930885
1-[2-(2-fluorophenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea
CID 108900165
6-fluoro-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 63973138
6-(butylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109151574

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidine-5-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidine-5-carboxamide (CID 110852457) is N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidine-5-carboxamide is Cc1ncncc1C(=O)NCCc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidine-5-carboxamide?
The InChIKey is KASBKGVLSIPKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-10-12(8-16-9-18-10)14(19)17-7-6-11-4-2-3-5-13(11)15/h2-5,8-9H,6-7H2,1H3,(H,17,19).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidine-5-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidine-5-carboxamide has a molecular weight of 259.28 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 110852457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).