N-[6-(3-acetylanilino)-3-pyridinyl]-2-methoxybenzamide

C21H19N3O3 — CID 113020316

IUPACN-[6-(3-acetylanilino)-3-pyridinyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(Nc2cccc(C(C)=O)c2)nc1
InChIInChI=1S/C21H19N3O3/c1-14(25)15-6-5-7-16(12-15)23-20-11-10-17(13-22-20)24-21(26)18-8-3-4-9-19(18)27-2/h3-13H,1-2H3,(H,22,23)(H,24,26)
InChIKeyKPLCLCGTOANCMN-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.29
Rot. Bonds6

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

N-[6-(3-acetylanilino)-3-pyridinyl]-2-methoxybenzamide (PubChem CID 113020316) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[6-(3-acetylanilino)-3-pyridinyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[6-(3-acetylanilino)-3-pyridinyl]-2-methoxybenzamide
PubChem CID113020316
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-[6-(3-acetylanilino)-3-pyridinyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(Nc2cccc(C(C)=O)c2)nc1
InChIInChI=1S/C21H19N3O3/c1-14(25)15-6-5-7-16(12-15)23-20-11-10-17(13-22-20)24-21(26)18-8-3-4-9-19(18)27-2/h3-13H,1-2H3,(H,22,23)(H,24,26)
InChIKeyKPLCLCGTOANCMN-UHFFFAOYSA-N
XLogP4.29
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(3-acetylanilino)-3-pyridinyl]-2-chlorobenzamide
CID 113020334
2-methoxy-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016337
N-[6-(3-acetylanilino)-3-pyridinyl]-3-fluorobenzamide
CID 113020314
N-[6-(4-ethylanilino)-3-pyridinyl]-2-methoxybenzamide
CID 113017463
N-[4-(3-acetamidoanilino)phenyl]-2-methoxybenzamide
CID 112988294
N-(3-acetylphenyl)-3-methoxypyridine-4-carboxamide
CID 105063564
methyl 3-[[6-[(2-methoxybenzoyl)amino]pyridazin-3-yl]amino]benzoate
CID 113049413
methyl 2-[[6-(3-acetylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109164458
N-(3-acetylphenyl)-2-ethoxybenzamide
CID 773754
3-bromo-N-[6-(3-methoxyanilino)-3-pyridinyl]benzamide
CID 113019395
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-methoxybenzamide
CID 113020950
2-methoxy-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]benzamide
CID 113019839

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-acetylanilino)-3-pyridinyl]-2-methoxybenzamide?
The IUPAC name of N-[6-(3-acetylanilino)-3-pyridinyl]-2-methoxybenzamide (CID 113020316) is N-[6-(3-acetylanilino)-3-pyridinyl]-2-methoxybenzamide.
What is the SMILES notation for N-[6-(3-acetylanilino)-3-pyridinyl]-2-methoxybenzamide?
The canonical SMILES for N-[6-(3-acetylanilino)-3-pyridinyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccc(Nc2cccc(C(C)=O)c2)nc1.
What is the InChIKey of N-[6-(3-acetylanilino)-3-pyridinyl]-2-methoxybenzamide?
The InChIKey is KPLCLCGTOANCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-14(25)15-6-5-7-16(12-15)23-20-11-10-17(13-22-20)24-21(26)18-8-3-4-9-19(18)27-2/h3-13H,1-2H3,(H,22,23)(H,24,26).
What are the key properties of N-[6-(3-acetylanilino)-3-pyridinyl]-2-methoxybenzamide?
N-[6-(3-acetylanilino)-3-pyridinyl]-2-methoxybenzamide has a molecular weight of 361.40 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-acetylanilino)-3-pyridinyl]-2-methoxybenzamide is sourced from PubChem (CID 113020316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).