Skip to content

N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2,6-dimethylpyrimidine-4-carboxamide

C19H17FN4O — CID 155700089

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2,6-dimethylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Cc3cccc(F)c3)cn2)nc(C)n1
InChIInChI=1S/C19H17FN4O/c1-12-8-17(23-13(2)22-12)19(25)24-18-7-6-15(11-21-18)9-14-4-3-5-16(20)10-14/h3-8,10-11H,9H2,1-2H3,(H,21,24,25)
InChIKeyZTWWCMJYYXCEEU-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.47
Rot. Bonds4

About N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2,6-dimethylpyrimidine-4-carboxamide

N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2,6-dimethylpyrimidine-4-carboxamide (PubChem CID 155700089) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2,6-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2,6-dimethylpyrimidine-4-carboxamide
PubChem CID155700089
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC NameN-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2,6-dimethylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Cc3cccc(F)c3)cn2)nc(C)n1
InChIInChI=1S/C19H17FN4O/c1-12-8-17(23-13(2)22-12)19(25)24-18-7-6-15(11-21-18)9-14-4-3-5-16(20)10-14/h3-8,10-11H,9H2,1-2H3,(H,21,24,25)
InChIKeyZTWWCMJYYXCEEU-UHFFFAOYSA-N
XLogP3.47
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2,6-dimethylpyrimidine-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

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2,6-dimethylpyrimidine-4-carboxamide?
The IUPAC name of N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2,6-dimethylpyrimidine-4-carboxamide (CID 155700089) is N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2,6-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2,6-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2,6-dimethylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(Cc3cccc(F)c3)cn2)nc(C)n1.
What is the InChIKey of N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2,6-dimethylpyrimidine-4-carboxamide?
The InChIKey is ZTWWCMJYYXCEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-12-8-17(23-13(2)22-12)19(25)24-18-7-6-15(11-21-18)9-14-4-3-5-16(20)10-14/h3-8,10-11H,9H2,1-2H3,(H,21,24,25).
What are the key properties of N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2,6-dimethylpyrimidine-4-carboxamide?
N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2,6-dimethylpyrimidine-4-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2,6-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 155700089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.