N-(2,2-dimethylpropyl)-6-(3-ethylanilino)-3-methoxypyridine-2-carboxamide

C20H27N3O2 — CID 155350454

IUPACN-(2,2-dimethylpropyl)-6-(3-ethylanilino)-3-methoxypyridine-2-carboxamide
SMILESCCc1cccc(Nc2ccc(OC)c(C(=O)NCC(C)(C)C)n2)c1
InChIInChI=1S/C20H27N3O2/c1-6-14-8-7-9-15(12-14)22-17-11-10-16(25-5)18(23-17)19(24)21-13-20(2,3)4/h7-12H,6,13H2,1-5H3,(H,21,24)(H,22,23)
InChIKeyPQBSMZYVKVPOMT-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.17
Rot. Bonds6

About N-(2,2-dimethylpropyl)-6-(3-ethylanilino)-3-methoxypyridine-2-carboxamide

N-(2,2-dimethylpropyl)-6-(3-ethylanilino)-3-methoxypyridine-2-carboxamide (PubChem CID 155350454) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-6-(3-ethylanilino)-3-methoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-6-(3-ethylanilino)-3-methoxypyridine-2-carboxamide
PubChem CID155350454
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-(2,2-dimethylpropyl)-6-(3-ethylanilino)-3-methoxypyridine-2-carboxamide
SMILESCCc1cccc(Nc2ccc(OC)c(C(=O)NCC(C)(C)C)n2)c1
InChIInChI=1S/C20H27N3O2/c1-6-14-8-7-9-15(12-14)22-17-11-10-16(25-5)18(23-17)19(24)21-13-20(2,3)4/h7-12H,6,13H2,1-5H3,(H,21,24)(H,22,23)
InChIKeyPQBSMZYVKVPOMT-UHFFFAOYSA-N
XLogP4.17
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115423276
N-(3-ethylphenyl)-6-methoxy-4-methylpyridin-2-amine
CID 20714452
tert-butyl N-[[3-[(6-methoxy-2-pyridinyl)amino]phenyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 18331429
2-(3-ethylanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 46283332
6-(1,3-benzodioxol-5-ylamino)-N-tert-butyl-3-methoxypyridine-2-carboxamide
CID 155350485
N-[2-(3-ethylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 27256468
2-(difluoromethoxy)-N-(3-ethylphenyl)-3-methoxybenzamide
CID 51143865
ethyl 2-(3-ethylanilino)-1,3-thiazole-4-carboxylate
CID 113221139
N-tert-butyl-6-(3-chloro-5-fluoroanilino)-3-methoxypyridine-2-carboxamide
CID 155350561
6-(3-ethylanilino)pyridine-2-carbothioamide
CID 64588428
2-(3,4-dimethoxyphenyl)-N-(3-ethylphenyl)quinoline-4-carboxamide
CID 4207709
N-[3-[(3-ethylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 17404307

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-6-(3-ethylanilino)-3-methoxypyridine-2-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-6-(3-ethylanilino)-3-methoxypyridine-2-carboxamide (CID 155350454) is N-(2,2-dimethylpropyl)-6-(3-ethylanilino)-3-methoxypyridine-2-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-6-(3-ethylanilino)-3-methoxypyridine-2-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-6-(3-ethylanilino)-3-methoxypyridine-2-carboxamide is CCc1cccc(Nc2ccc(OC)c(C(=O)NCC(C)(C)C)n2)c1.
What is the InChIKey of N-(2,2-dimethylpropyl)-6-(3-ethylanilino)-3-methoxypyridine-2-carboxamide?
The InChIKey is PQBSMZYVKVPOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-6-14-8-7-9-15(12-14)22-17-11-10-16(25-5)18(23-17)19(24)21-13-20(2,3)4/h7-12H,6,13H2,1-5H3,(H,21,24)(H,22,23).
What are the key properties of N-(2,2-dimethylpropyl)-6-(3-ethylanilino)-3-methoxypyridine-2-carboxamide?
N-(2,2-dimethylpropyl)-6-(3-ethylanilino)-3-methoxypyridine-2-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-6-(3-ethylanilino)-3-methoxypyridine-2-carboxamide is sourced from PubChem (CID 155350454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).