6-(2-ethoxyanilino)-N-(2-methylpropyl)pyridine-3-carboxamide

C18H23N3O2 — CID 109151913

IUPAC6-(2-ethoxyanilino)-N-(2-methylpropyl)pyridine-3-carboxamide
SMILESCCOc1ccccc1Nc1ccc(C(=O)NCC(C)C)cn1
InChIInChI=1S/C18H23N3O2/c1-4-23-16-8-6-5-7-15(16)21-17-10-9-14(12-19-17)18(22)20-11-13(2)3/h5-10,12-13H,4,11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyYJFRYALMYNRIBD-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.61
Rot. Bonds7

About 6-(2-ethoxyanilino)-N-(2-methylpropyl)pyridine-3-carboxamide

6-(2-ethoxyanilino)-N-(2-methylpropyl)pyridine-3-carboxamide (PubChem CID 109151913) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 6-(2-ethoxyanilino)-N-(2-methylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-ethoxyanilino)-N-(2-methylpropyl)pyridine-3-carboxamide
PubChem CID109151913
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name6-(2-ethoxyanilino)-N-(2-methylpropyl)pyridine-3-carboxamide
SMILESCCOc1ccccc1Nc1ccc(C(=O)NCC(C)C)cn1
InChIInChI=1S/C18H23N3O2/c1-4-23-16-8-6-5-7-15(16)21-17-10-9-14(12-19-17)18(22)20-11-13(2)3/h5-10,12-13H,4,11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyYJFRYALMYNRIBD-UHFFFAOYSA-N
XLogP3.61
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[5-(2-methylpropylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109151943
6-(2-ethoxyanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109156225
6-(2-ethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153373
5-(2-ethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181135
N-butyl-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109151752
N-[2-(cyclohexen-1-yl)ethyl]-6-(2-ethoxyanilino)pyridine-3-carboxamide
CID 109152831
N-(3,4-dimethoxyphenyl)-6-(2-ethoxyanilino)pyridine-3-carboxamide
CID 109164098
6-(2-ethoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109164093
6-(4-acetamidoanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 109164130
N-(3-methoxypropyl)-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109153376
1-[6-(2-ethoxyanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113019637
N-(2-methylpropyl)-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
CID 109151937

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxyanilino)-N-(2-methylpropyl)pyridine-3-carboxamide?
The IUPAC name of 6-(2-ethoxyanilino)-N-(2-methylpropyl)pyridine-3-carboxamide (CID 109151913) is 6-(2-ethoxyanilino)-N-(2-methylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-ethoxyanilino)-N-(2-methylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(2-ethoxyanilino)-N-(2-methylpropyl)pyridine-3-carboxamide is CCOc1ccccc1Nc1ccc(C(=O)NCC(C)C)cn1.
What is the InChIKey of 6-(2-ethoxyanilino)-N-(2-methylpropyl)pyridine-3-carboxamide?
The InChIKey is YJFRYALMYNRIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-4-23-16-8-6-5-7-15(16)21-17-10-9-14(12-19-17)18(22)20-11-13(2)3/h5-10,12-13H,4,11H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 6-(2-ethoxyanilino)-N-(2-methylpropyl)pyridine-3-carboxamide?
6-(2-ethoxyanilino)-N-(2-methylpropyl)pyridine-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyanilino)-N-(2-methylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 109151913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).