N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide

C22H23N3O2 — CID 113028340

IUPACN-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide
SMILESCOc1ccccc1CCNc1ccc(NC(=O)c2ccc(C)cc2)nc1
InChIInChI=1S/C22H23N3O2/c1-16-7-9-18(10-8-16)22(26)25-21-12-11-19(15-24-21)23-14-13-17-5-3-4-6-20(17)27-2/h3-12,15,23H,13-14H2,1-2H3,(H,24,25,26)
InChIKeyPJLBHSFAYLTDFY-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.31
Rot. Bonds7

About N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide

N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide (PubChem CID 113028340) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide
PubChem CID113028340
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide
SMILESCOc1ccccc1CCNc1ccc(NC(=O)c2ccc(C)cc2)nc1
InChIInChI=1S/C22H23N3O2/c1-16-7-9-18(10-8-16)22(26)25-21-12-11-19(15-24-21)23-14-13-17-5-3-4-6-20(17)27-2/h3-12,15,23H,13-14H2,1-2H3,(H,24,25,26)
InChIKeyPJLBHSFAYLTDFY-UHFFFAOYSA-N
XLogP4.31
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-4-methoxybenzamide
CID 113028186
3-chloro-N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide
CID 113028357
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113028190
N-(4-fluorophenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109158776
N-[2-(2-methoxyphenyl)ethyl]-6-(4-methylanilino)pyridine-3-carboxamide
CID 109158821
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-2,6-dimethoxybenzamide
CID 113028188
4-methyl-N-[5-(propylamino)-2-pyridinyl]benzamide
CID 113023427
N-(4-ethylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109158771
N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide
CID 113029009
N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 8911194
3,4-difluoro-N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]benzamide
CID 113027357
N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]-4-methylbenzamide
CID 113013902

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide?
The IUPAC name of N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide (CID 113028340) is N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide.
What is the SMILES notation for N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide?
The canonical SMILES for N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide is COc1ccccc1CCNc1ccc(NC(=O)c2ccc(C)cc2)nc1.
What is the InChIKey of N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide?
The InChIKey is PJLBHSFAYLTDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-16-7-9-18(10-8-16)22(26)25-21-12-11-19(15-24-21)23-14-13-17-5-3-4-6-20(17)27-2/h3-12,15,23H,13-14H2,1-2H3,(H,24,25,26).
What are the key properties of N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide?
N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide has a molecular weight of 361.45 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]-4-methylbenzamide is sourced from PubChem (CID 113028340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).