3,4-difluoro-N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]benzamide

C20H17F2N3O2 — CID 113027357

IUPAC3,4-difluoro-N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]benzamide
SMILESCOc1ccccc1CNc1ccc(NC(=O)c2ccc(F)c(F)c2)nc1
InChIInChI=1S/C20H17F2N3O2/c1-27-18-5-3-2-4-14(18)11-23-15-7-9-19(24-12-15)25-20(26)13-6-8-16(21)17(22)10-13/h2-10,12,23H,11H2,1H3,(H,24,25,26)
InChIKeyRGQQOJQGOWZZFG-UHFFFAOYSA-N
MW369.37 g/mol
LogP4.23
Rot. Bonds6

About 3,4-difluoro-N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]benzamide

3,4-difluoro-N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]benzamide (PubChem CID 113027357) has the molecular formula C20H17F2N3O2 and a molecular weight of 369.37 g/mol. Its IUPAC name is 3,4-difluoro-N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]benzamide
PubChem CID113027357
Molecular FormulaC20H17F2N3O2
Molecular Weight369.37 g/mol
Exact Mass369.13
IUPAC Name3,4-difluoro-N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]benzamide
SMILESCOc1ccccc1CNc1ccc(NC(=O)c2ccc(F)c(F)c2)nc1
InChIInChI=1S/C20H17F2N3O2/c1-27-18-5-3-2-4-14(18)11-23-15-7-9-19(24-12-15)25-20(26)13-6-8-16(21)17(22)10-13/h2-10,12,23H,11H2,1H3,(H,24,25,26)
InChIKeyRGQQOJQGOWZZFG-UHFFFAOYSA-N
XLogP4.23
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109157129
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113028190
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113027190
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-2-methoxybenzamide
CID 113026998
3,4-difluoro-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide
CID 113027675
2-(4-fluorophenyl)-N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]acetamide
CID 113027342
3-chloro-N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide
CID 113028357
N-(2-fluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109157086
N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide
CID 113028340
N-(4-chlorophenyl)-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109171137
N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]furan-2-carboxamide
CID 113027322
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-4-methoxybenzamide
CID 113028186

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]benzamide (CID 113027357) is 3,4-difluoro-N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]benzamide is COc1ccccc1CNc1ccc(NC(=O)c2ccc(F)c(F)c2)nc1.
What is the InChIKey of 3,4-difluoro-N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]benzamide?
The InChIKey is RGQQOJQGOWZZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O2/c1-27-18-5-3-2-4-14(18)11-23-15-7-9-19(24-12-15)25-20(26)13-6-8-16(21)17(22)10-13/h2-10,12,23H,11H2,1H3,(H,24,25,26).
What are the key properties of 3,4-difluoro-N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]benzamide?
3,4-difluoro-N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]benzamide has a molecular weight of 369.37 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]benzamide is sourced from PubChem (CID 113027357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).