2-methoxy-N-[6-(4-methylanilino)-3-pyridinyl]benzamide

C20H19N3O2 — CID 113016337

IUPAC2-methoxy-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(Nc2ccc(C)cc2)nc1
InChIInChI=1S/C20H19N3O2/c1-14-7-9-15(10-8-14)22-19-12-11-16(13-21-19)23-20(24)17-5-3-4-6-18(17)25-2/h3-13H,1-2H3,(H,21,22)(H,23,24)
InChIKeyDIDUXWVCBQHLIO-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.39
Rot. Bonds5

About 2-methoxy-N-[6-(4-methylanilino)-3-pyridinyl]benzamide

2-methoxy-N-[6-(4-methylanilino)-3-pyridinyl]benzamide (PubChem CID 113016337) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-methoxy-N-[6-(4-methylanilino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
PubChem CID113016337
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name2-methoxy-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(Nc2ccc(C)cc2)nc1
InChIInChI=1S/C20H19N3O2/c1-14-7-9-15(10-8-14)22-19-12-11-16(13-21-19)23-20(24)17-5-3-4-6-18(17)25-2/h3-13H,1-2H3,(H,21,22)(H,23,24)
InChIKeyDIDUXWVCBQHLIO-UHFFFAOYSA-N
XLogP4.39
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(4-ethylanilino)-3-pyridinyl]-2-methoxybenzamide
CID 113017463
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-methoxybenzamide
CID 113020950
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
ethyl 2-[[5-[(2-methoxybenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113022601
4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016330
2,6-dimethoxy-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
CID 113019504
2-fluoro-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
CID 113019493
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
N-[6-(butylamino)-3-pyridinyl]-2-methoxybenzamide
CID 113009462
6-(4-methylanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109162280

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[6-(4-methylanilino)-3-pyridinyl]benzamide?
The IUPAC name of 2-methoxy-N-[6-(4-methylanilino)-3-pyridinyl]benzamide (CID 113016337) is 2-methoxy-N-[6-(4-methylanilino)-3-pyridinyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[6-(4-methylanilino)-3-pyridinyl]benzamide?
The canonical SMILES for 2-methoxy-N-[6-(4-methylanilino)-3-pyridinyl]benzamide is COc1ccccc1C(=O)Nc1ccc(Nc2ccc(C)cc2)nc1.
What is the InChIKey of 2-methoxy-N-[6-(4-methylanilino)-3-pyridinyl]benzamide?
The InChIKey is DIDUXWVCBQHLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-14-7-9-15(10-8-14)22-19-12-11-16(13-21-19)23-20(24)17-5-3-4-6-18(17)25-2/h3-13H,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 2-methoxy-N-[6-(4-methylanilino)-3-pyridinyl]benzamide?
2-methoxy-N-[6-(4-methylanilino)-3-pyridinyl]benzamide has a molecular weight of 333.39 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[6-(4-methylanilino)-3-pyridinyl]benzamide is sourced from PubChem (CID 113016337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).