5-(4-ethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide

C18H23N3O2 — CID 109181136

IUPAC5-(4-ethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCCOc1ccc(Nc2ccc(C(=O)NCC(C)C)nc2)cc1
InChIInChI=1S/C18H23N3O2/c1-4-23-16-8-5-14(6-9-16)21-15-7-10-17(19-12-15)18(22)20-11-13(2)3/h5-10,12-13,21H,4,11H2,1-3H3,(H,20,22)
InChIKeyQCSWDXUJMKIPOG-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.61
Rot. Bonds7

About 5-(4-ethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide

5-(4-ethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide (PubChem CID 109181136) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 5-(4-ethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-ethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
PubChem CID109181136
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name5-(4-ethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCCOc1ccc(Nc2ccc(C(=O)NCC(C)C)nc2)cc1
InChIInChI=1S/C18H23N3O2/c1-4-23-16-8-5-14(6-9-16)21-15-7-10-17(19-12-15)18(22)20-11-13(2)3/h5-10,12-13,21H,4,11H2,1-3H3,(H,20,22)
InChIKeyQCSWDXUJMKIPOG-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

5-(4-acetylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181147
5-(2-ethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181135
5-[4-(dimethylamino)anilino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181155
N-[(2-chlorophenyl)methyl]-5-(4-ethoxyanilino)pyridine-2-carboxamide
CID 109189878
N-(2,6-dimethylphenyl)-5-(4-ethoxyanilino)pyridine-2-carboxamide
CID 109198225
N-cyclopentyl-5-(4-ethoxyanilino)pyridine-2-carboxamide
CID 109182282
5-(3-chloroanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181120
N-cyclohexyl-5-(4-ethoxyanilino)pyridine-2-carboxamide
CID 109183016
5-(1,3-benzodioxol-5-ylamino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181171
4-(4-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109217326
N-(4-ethoxyphenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104639683
5-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109200045

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide?
The IUPAC name of 5-(4-ethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide (CID 109181136) is 5-(4-ethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-ethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(4-ethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide is CCOc1ccc(Nc2ccc(C(=O)NCC(C)C)nc2)cc1.
What is the InChIKey of 5-(4-ethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide?
The InChIKey is QCSWDXUJMKIPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-4-23-16-8-5-14(6-9-16)21-15-7-10-17(19-12-15)18(22)20-11-13(2)3/h5-10,12-13,21H,4,11H2,1-3H3,(H,20,22).
What are the key properties of 5-(4-ethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide?
5-(4-ethoxyanilino)-N-(2-methylpropyl)pyridine-2-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 5-(4-ethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 109181136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).