N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyridine-2-carboxamide

C19H16FN3O2 — CID 54587759

IUPACN-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyridine-2-carboxamide
SMILESCOc1cc(F)ccc1-c1cncc(CNC(=O)c2ccccn2)c1
InChIInChI=1S/C19H16FN3O2/c1-25-18-9-15(20)5-6-16(18)14-8-13(10-21-12-14)11-23-19(24)17-4-2-3-7-22-17/h2-10,12H,11H2,1H3,(H,23,24)
InChIKeyXEKZQVZQOZRWEJ-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.22
Rot. Bonds5

About N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyridine-2-carboxamide

N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyridine-2-carboxamide (PubChem CID 54587759) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyridine-2-carboxamide
PubChem CID54587759
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC NameN-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyridine-2-carboxamide
SMILESCOc1cc(F)ccc1-c1cncc(CNC(=O)c2ccccn2)c1
InChIInChI=1S/C19H16FN3O2/c1-25-18-9-15(20)5-6-16(18)14-8-13(10-21-12-14)11-23-19(24)17-4-2-3-7-22-17/h2-10,12H,11H2,1H3,(H,23,24)
InChIKeyXEKZQVZQOZRWEJ-UHFFFAOYSA-N
XLogP3.22
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N1-(2-Methoxy-4-methylbenzyl)-n2-(2-(5-methylpyridin-2-yl)ethyl)oxalamide
CID 11210019
N-{2-(4-Methoxy-phenyl)-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5442665
4-fluoro-3-[2-(4-methylphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396292
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-(2-pyridinylmethyl)-
CID 44520951
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520964
6-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 59743926
2-(benzyloxy)-5-(2-fluoropyridin-4-yl)-N-(pyridin-3-yl)benzamide
CID 68107965
N-Methyl-N-((2-(1-(2-(methylamino)ethyl)piperidin-4-yl)pyridin-4-yl)methyl)-3-phenoxybenzamide
CID 122707126
N-[(3,4-dimethoxyphenyl)methyl]-5-(3-fluoro-5-methylphenyl)-2-pyridin-3-ylpyridine-3-carboxamide
CID 25060899
N-(3-methoxy-4-methylphenyl)picolinamide
CID 44191178
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-4-pyridin-2-ylbenzamide
CID 44427818
6-Fluoro-n-((r)-3-{4-[(4-methoxy-phenyl)-(4-methyl-pyridin-3-ylmethyl)-amino]-piperidin-1-yl}-butyl)-2,4-dimethyl-nicotinamide
CID 44511934

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyridine-2-carboxamide (CID 54587759) is N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyridine-2-carboxamide is COc1cc(F)ccc1-c1cncc(CNC(=O)c2ccccn2)c1.
What is the InChIKey of N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyridine-2-carboxamide?
The InChIKey is XEKZQVZQOZRWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c1-25-18-9-15(20)5-6-16(18)14-8-13(10-21-12-14)11-23-19(24)17-4-2-3-7-22-17/h2-10,12H,11H2,1H3,(H,23,24).
What are the key properties of N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyridine-2-carboxamide?
N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyridine-2-carboxamide has a molecular weight of 337.35 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 54587759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).