N-[5-(2-ethylanilino)-2-pyridinyl]-4-methoxybenzamide

C21H21N3O2 — CID 113032411

IUPACN-[5-(2-ethylanilino)-2-pyridinyl]-4-methoxybenzamide
SMILESCCc1ccccc1Nc1ccc(NC(=O)c2ccc(OC)cc2)nc1
InChIInChI=1S/C21H21N3O2/c1-3-15-6-4-5-7-19(15)23-17-10-13-20(22-14-17)24-21(25)16-8-11-18(26-2)12-9-16/h4-14,23H,3H2,1-2H3,(H,22,24,25)
InChIKeyZHNADEFJFQHZRU-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.65
Rot. Bonds6

About N-[5-(2-ethylanilino)-2-pyridinyl]-4-methoxybenzamide

N-[5-(2-ethylanilino)-2-pyridinyl]-4-methoxybenzamide (PubChem CID 113032411) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[5-(2-ethylanilino)-2-pyridinyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(2-ethylanilino)-2-pyridinyl]-4-methoxybenzamide
PubChem CID113032411
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[5-(2-ethylanilino)-2-pyridinyl]-4-methoxybenzamide
SMILESCCc1ccccc1Nc1ccc(NC(=O)c2ccc(OC)cc2)nc1
InChIInChI=1S/C21H21N3O2/c1-3-15-6-4-5-7-19(15)23-17-10-13-20(22-14-17)24-21(25)16-8-11-18(26-2)12-9-16/h4-14,23H,3H2,1-2H3,(H,22,24,25)
InChIKeyZHNADEFJFQHZRU-UHFFFAOYSA-N
XLogP4.65
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(2-ethylanilino)-2-pyridinyl]-3,5-dimethoxybenzamide
CID 113032412
N-[6-(2-ethylanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113046649
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-4-methoxybenzamide
CID 113028186
N-[5-(2-ethylanilino)-2-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113032428
4-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide
CID 113037430
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113032033
N-[5-(2-ethylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113032400
4-chloro-N-[5-(2-ethoxyanilino)-2-pyridinyl]benzamide
CID 113034282
N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113033826
N-[5-(3,4-dimethylanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113032108
N-[5-(3,4-dichloroanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113036697
N-[5-(4-ethoxyanilino)-2-pyridinyl]benzamide
CID 113034337

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-ethylanilino)-2-pyridinyl]-4-methoxybenzamide?
The IUPAC name of N-[5-(2-ethylanilino)-2-pyridinyl]-4-methoxybenzamide (CID 113032411) is N-[5-(2-ethylanilino)-2-pyridinyl]-4-methoxybenzamide.
What is the SMILES notation for N-[5-(2-ethylanilino)-2-pyridinyl]-4-methoxybenzamide?
The canonical SMILES for N-[5-(2-ethylanilino)-2-pyridinyl]-4-methoxybenzamide is CCc1ccccc1Nc1ccc(NC(=O)c2ccc(OC)cc2)nc1.
What is the InChIKey of N-[5-(2-ethylanilino)-2-pyridinyl]-4-methoxybenzamide?
The InChIKey is ZHNADEFJFQHZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-3-15-6-4-5-7-19(15)23-17-10-13-20(22-14-17)24-21(25)16-8-11-18(26-2)12-9-16/h4-14,23H,3H2,1-2H3,(H,22,24,25).
What are the key properties of N-[5-(2-ethylanilino)-2-pyridinyl]-4-methoxybenzamide?
N-[5-(2-ethylanilino)-2-pyridinyl]-4-methoxybenzamide has a molecular weight of 347.42 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-ethylanilino)-2-pyridinyl]-4-methoxybenzamide is sourced from PubChem (CID 113032411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).