N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-3,4-dimethylbenzamide

C23H25N3O2 — CID 113028411

IUPACN-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-3,4-dimethylbenzamide
SMILESCOc1cccc(CCNc2ccc(NC(=O)c3ccc(C)c(C)c3)nc2)c1
InChIInChI=1S/C23H25N3O2/c1-16-7-8-19(13-17(16)2)23(27)26-22-10-9-20(15-25-22)24-12-11-18-5-4-6-21(14-18)28-3/h4-10,13-15,24H,11-12H2,1-3H3,(H,25,26,27)
InChIKeyASNPAQQRJPBVEI-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.61
Rot. Bonds7

About N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-3,4-dimethylbenzamide

N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-3,4-dimethylbenzamide (PubChem CID 113028411) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-3,4-dimethylbenzamide
PubChem CID113028411
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-3,4-dimethylbenzamide
SMILESCOc1cccc(CCNc2ccc(NC(=O)c3ccc(C)c(C)c3)nc2)c1
InChIInChI=1S/C23H25N3O2/c1-16-7-8-19(13-17(16)2)23(27)26-22-10-9-20(15-25-22)24-12-11-18-5-4-6-21(14-18)28-3/h4-10,13-15,24H,11-12H2,1-3H3,(H,25,26,27)
InChIKeyASNPAQQRJPBVEI-UHFFFAOYSA-N
XLogP4.61
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide
CID 113013432
N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 113028392
3,4-dimethyl-N-[6-(2-phenylethylamino)-3-pyridinyl]benzamide
CID 113013026
3-fluoro-N-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide
CID 113028470
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-3-methoxybenzamide
CID 113028185
N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]methanesulfonamide
CID 113028442
N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]-2-methylpropanamide
CID 113013416
2-[2-(3-methoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridine-4-carboxamide
CID 109172917
5-[2-(3-methoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109192679
2-chloro-6-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide
CID 113013450
N-(2,6-difluorophenyl)-5-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109192723
N-[5-(3,4-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113032108

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-3,4-dimethylbenzamide (CID 113028411) is N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-3,4-dimethylbenzamide is COc1cccc(CCNc2ccc(NC(=O)c3ccc(C)c(C)c3)nc2)c1.
What is the InChIKey of N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-3,4-dimethylbenzamide?
The InChIKey is ASNPAQQRJPBVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16-7-8-19(13-17(16)2)23(27)26-22-10-9-20(15-25-22)24-12-11-18-5-4-6-21(14-18)28-3/h4-10,13-15,24H,11-12H2,1-3H3,(H,25,26,27).
What are the key properties of N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-3,4-dimethylbenzamide?
N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-3,4-dimethylbenzamide has a molecular weight of 375.47 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 113028411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).