4-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide

C20H18FN3O2 — CID 109212227

IUPAC4-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(Nc3cccc(F)c3)ccn2)cc1
InChIInChI=1S/C20H18FN3O2/c1-26-18-7-5-14(6-8-18)13-23-20(25)19-12-17(9-10-22-19)24-16-4-2-3-15(21)11-16/h2-12H,13H2,1H3,(H,22,24)(H,23,25)
InChIKeyHVPJFNPRSPLXCB-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.90
Rot. Bonds6

About 4-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide

4-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide (PubChem CID 109212227) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is 4-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
PubChem CID109212227
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name4-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(Nc3cccc(F)c3)ccn2)cc1
InChIInChI=1S/C20H18FN3O2/c1-26-18-7-5-14(6-8-18)13-23-20(25)19-12-17(9-10-22-19)24-16-4-2-3-15(21)11-16/h2-12H,13H2,1H3,(H,22,24)(H,23,25)
InChIKeyHVPJFNPRSPLXCB-UHFFFAOYSA-N
XLogP3.90
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190439
4-(2,6-dimethylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212185
4-(3-fluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214435
4-(4-acetylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212220
4-(3-fluoroanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205806
N-[(4-fluorophenyl)methyl]-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109305700
4-(2-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212198
4-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211451
N-benzyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109209636
N-[(2-fluorophenyl)methyl]-4-(4-methoxyanilino)pyridine-2-carboxamide
CID 109211205
N-[(4-methoxyphenyl)methyl]-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210281
4-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212181

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide (CID 109212227) is 4-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide is COc1ccc(CNC(=O)c2cc(Nc3cccc(F)c3)ccn2)cc1.
What is the InChIKey of 4-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is HVPJFNPRSPLXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-26-18-7-5-14(6-8-18)13-23-20(25)19-12-17(9-10-22-19)24-16-4-2-3-15(21)11-16/h2-12H,13H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 4-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide?
4-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 351.38 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109212227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).