N-[4-(2,5-dimethoxyphenyl)phenyl]-3-fluoropyridine-4-carboxamide

C20H17FN2O3 — CID 11337104

IUPACN-[4-(2,5-dimethoxyphenyl)phenyl]-3-fluoropyridine-4-carboxamide
SMILESCOc1ccc(OC)c(-c2ccc(NC(=O)c3ccncc3F)cc2)c1
InChIInChI=1S/C20H17FN2O3/c1-25-15-7-8-19(26-2)17(11-15)13-3-5-14(6-4-13)23-20(24)16-9-10-22-12-18(16)21/h3-12H,1-2H3,(H,23,24)
InChIKeyGFEIWXNLDKUWIK-UHFFFAOYSA-N
MW352.37 g/mol
LogP4.16
Rot. Bonds5

About N-[4-(2,5-dimethoxyphenyl)phenyl]-3-fluoropyridine-4-carboxamide

N-[4-(2,5-dimethoxyphenyl)phenyl]-3-fluoropyridine-4-carboxamide (PubChem CID 11337104) has the molecular formula C20H17FN2O3 and a molecular weight of 352.37 g/mol. Its IUPAC name is N-[4-(2,5-dimethoxyphenyl)phenyl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethoxyphenyl)phenyl]-3-fluoropyridine-4-carboxamide
PubChem CID11337104
Molecular FormulaC20H17FN2O3
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC NameN-[4-(2,5-dimethoxyphenyl)phenyl]-3-fluoropyridine-4-carboxamide
SMILESCOc1ccc(OC)c(-c2ccc(NC(=O)c3ccncc3F)cc2)c1
InChIInChI=1S/C20H17FN2O3/c1-25-15-7-8-19(26-2)17(11-15)13-3-5-14(6-4-13)23-20(24)16-9-10-22-12-18(16)21/h3-12H,1-2H3,(H,23,24)
InChIKeyGFEIWXNLDKUWIK-UHFFFAOYSA-N
XLogP4.16
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{(3R,4R)-4-[4-(2-Fluoro-6-hydroxy-3-methoxy-benzoyl)-benzoylamino]-azepan-3-YL}isonicotinamide
CID 657002
4-fluoro-3-[2-(4-methylphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396292
2-Methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]benzamide
CID 139582022
(E)-3-(2,5-difluorophenyl)-N-[(1S)-1-(3-pyridin-4-yloxyphenyl)ethyl]prop-2-enamide
CID 10339721
ROCK inhibitor-2
CID 51003130
4-(3-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 68513301
(3R,4S)-N-(4-{trans-2-[4-(2-Fluoro-6-hydroxy-3-methoxy-benzoyl)-phenyl]-vinyl}-azepan-3-YL)-isonicotinamide
CID 657003
N-((3R,4R)-4-{[4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)benzyl]amino}azepan-3-yl)isonicotinamide trihydrochloride
CID 11317863
2-Fluoro-6-methoxy-4-[4-methyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-pyridinyl]benzamide
CID 155548898
6-(2-fluoranylpyridin-4-yl)-~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 168276974
3-[2-(4-aminophenyl)ethoxy]-4-fluoro-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052465
N-(6-methoxypyridin-3-yl)-3-phenoxybenzamide
CID 16295584

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethoxyphenyl)phenyl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[4-(2,5-dimethoxyphenyl)phenyl]-3-fluoropyridine-4-carboxamide (CID 11337104) is N-[4-(2,5-dimethoxyphenyl)phenyl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[4-(2,5-dimethoxyphenyl)phenyl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[4-(2,5-dimethoxyphenyl)phenyl]-3-fluoropyridine-4-carboxamide is COc1ccc(OC)c(-c2ccc(NC(=O)c3ccncc3F)cc2)c1.
What is the InChIKey of N-[4-(2,5-dimethoxyphenyl)phenyl]-3-fluoropyridine-4-carboxamide?
The InChIKey is GFEIWXNLDKUWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3/c1-25-15-7-8-19(26-2)17(11-15)13-3-5-14(6-4-13)23-20(24)16-9-10-22-12-18(16)21/h3-12H,1-2H3,(H,23,24).
What are the key properties of N-[4-(2,5-dimethoxyphenyl)phenyl]-3-fluoropyridine-4-carboxamide?
N-[4-(2,5-dimethoxyphenyl)phenyl]-3-fluoropyridine-4-carboxamide has a molecular weight of 352.37 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethoxyphenyl)phenyl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 11337104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).