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

C19H17FN4O — CID 155700089

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

Related Compounds

1-(cyclopropylmethyl)-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-6-oxopyridazine-3-carboxamide
CID 139512605
N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-6-imino-1-methanimidoylpyridine-3-carboxamide
CID 139521752
N-(4-fluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110858651
5-bromo-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-1,2-thiazolidine-3-carboxamide
CID 155700104
N-(5-chloro-2-pyridinyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 86908832
N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1,2-dimethyl-5-oxopyrazole-3-carboxamide
CID 167579005
5-bromo-N-[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]pyrimidine-2-carboxamide
CID 139521632
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449481
N-(3-acetamidophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110861303
N-[5-(4-ethylanilino)-2-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113032512
6-chloro-N-(5-fluoro-2-pyridinyl)pyridine-2-carboxamide
CID 63236254
N-(3,4-difluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110865349

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).