3-chloro-N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide

C21H20ClN3O2 — CID 113028357

IUPAC3-chloro-N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide
SMILESCOc1ccccc1CCNc1ccc(NC(=O)c2cccc(Cl)c2)nc1
InChIInChI=1S/C21H20ClN3O2/c1-27-19-8-3-2-5-15(19)11-12-23-18-9-10-20(24-14-18)25-21(26)16-6-4-7-17(22)13-16/h2-10,13-14,23H,11-12H2,1H3,(H,24,25,26)
InChIKeySFKBPADNQXZKQA-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.65
Rot. Bonds7

About 3-chloro-N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide

3-chloro-N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide (PubChem CID 113028357) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is 3-chloro-N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide
PubChem CID113028357
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name3-chloro-N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide
SMILESCOc1ccccc1CCNc1ccc(NC(=O)c2cccc(Cl)c2)nc1
InChIInChI=1S/C21H20ClN3O2/c1-27-19-8-3-2-5-15(19)11-12-23-18-9-10-20(24-14-18)25-21(26)16-6-4-7-17(22)13-16/h2-10,13-14,23H,11-12H2,1H3,(H,24,25,26)
InChIKeySFKBPADNQXZKQA-UHFFFAOYSA-N
XLogP4.65
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide
CID 113028340
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113028190
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-3-methoxybenzamide
CID 113028185
3-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041700
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-2,6-dimethoxybenzamide
CID 113028188
3-chloro-N-[4-[(2-methoxyphenyl)methylamino]phenyl]benzamide
CID 112982654
3,4-difluoro-N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]benzamide
CID 113027357
3-chloro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide
CID 113024131
N-(4-fluorophenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109158776
3-fluoro-N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]benzamide
CID 113028182
3-chloro-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034080
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113027190

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide?
The IUPAC name of 3-chloro-N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide (CID 113028357) is 3-chloro-N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide.
What is the SMILES notation for 3-chloro-N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide?
The canonical SMILES for 3-chloro-N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide is COc1ccccc1CCNc1ccc(NC(=O)c2cccc(Cl)c2)nc1.
What is the InChIKey of 3-chloro-N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide?
The InChIKey is SFKBPADNQXZKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-27-19-8-3-2-5-15(19)11-12-23-18-9-10-20(24-14-18)25-21(26)16-6-4-7-17(22)13-16/h2-10,13-14,23H,11-12H2,1H3,(H,24,25,26).
What are the key properties of 3-chloro-N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide?
3-chloro-N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide has a molecular weight of 381.86 g/mol, XLogP of 4.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide is sourced from PubChem (CID 113028357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).