N-[6-(4-ethylanilino)-3-pyridinyl]-2-methoxybenzamide

C21H21N3O2 — CID 113017463

IUPACN-[6-(4-ethylanilino)-3-pyridinyl]-2-methoxybenzamide
SMILESCCc1ccc(Nc2ccc(NC(=O)c3ccccc3OC)cn2)cc1
InChIInChI=1S/C21H21N3O2/c1-3-15-8-10-16(11-9-15)23-20-13-12-17(14-22-20)24-21(25)18-6-4-5-7-19(18)26-2/h4-14H,3H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyNWBMLNWUZLTSMT-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.65
Rot. Bonds6

About N-[6-(4-ethylanilino)-3-pyridinyl]-2-methoxybenzamide

N-[6-(4-ethylanilino)-3-pyridinyl]-2-methoxybenzamide (PubChem CID 113017463) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[6-(4-ethylanilino)-3-pyridinyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[6-(4-ethylanilino)-3-pyridinyl]-2-methoxybenzamide
PubChem CID113017463
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[6-(4-ethylanilino)-3-pyridinyl]-2-methoxybenzamide
SMILESCCc1ccc(Nc2ccc(NC(=O)c3ccccc3OC)cn2)cc1
InChIInChI=1S/C21H21N3O2/c1-3-15-8-10-16(11-9-15)23-20-13-12-17(14-22-20)24-21(25)18-6-4-5-7-19(18)26-2/h4-14H,3H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyNWBMLNWUZLTSMT-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

2-methoxy-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016337
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-methoxybenzamide
CID 113020950
ethyl 2-[[5-[(2-methoxybenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113022601
N-[6-(butylamino)-3-pyridinyl]-2-methoxybenzamide
CID 113009462
N-[6-(3-acetylanilino)-3-pyridinyl]-2-methoxybenzamide
CID 113020316
2-methoxy-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]benzamide
CID 113019839
N-[6-(tert-butylamino)-3-pyridinyl]-2-methoxybenzamide
CID 113014776
2,6-dimethoxy-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
CID 113019504
ethyl 2-[[6-[(2-methoxybenzoyl)amino]-3-pyridinyl]amino]benzoate
CID 113037000
2-fluoro-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
CID 113019493
ethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113021804
N-(4-ethylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109158771

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-ethylanilino)-3-pyridinyl]-2-methoxybenzamide?
The IUPAC name of N-[6-(4-ethylanilino)-3-pyridinyl]-2-methoxybenzamide (CID 113017463) is N-[6-(4-ethylanilino)-3-pyridinyl]-2-methoxybenzamide.
What is the SMILES notation for N-[6-(4-ethylanilino)-3-pyridinyl]-2-methoxybenzamide?
The canonical SMILES for N-[6-(4-ethylanilino)-3-pyridinyl]-2-methoxybenzamide is CCc1ccc(Nc2ccc(NC(=O)c3ccccc3OC)cn2)cc1.
What is the InChIKey of N-[6-(4-ethylanilino)-3-pyridinyl]-2-methoxybenzamide?
The InChIKey is NWBMLNWUZLTSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-3-15-8-10-16(11-9-15)23-20-13-12-17(14-22-20)24-21(25)18-6-4-5-7-19(18)26-2/h4-14H,3H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of N-[6-(4-ethylanilino)-3-pyridinyl]-2-methoxybenzamide?
N-[6-(4-ethylanilino)-3-pyridinyl]-2-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-[6-(4-ethylanilino)-3-pyridinyl]-2-methoxybenzamide is sourced from PubChem (CID 113017463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).