4-(2-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide

C19H25N3O2 — CID 109217325

IUPAC4-(2-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
SMILESCCOc1ccccc1Nc1ccnc(C(=O)NCCC(C)C)c1
InChIInChI=1S/C19H25N3O2/c1-4-24-18-8-6-5-7-16(18)22-15-10-12-20-17(13-15)19(23)21-11-9-14(2)3/h5-8,10,12-14H,4,9,11H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyALSLDQTVTJNAEB-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.00
Rot. Bonds8

About 4-(2-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide

4-(2-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide (PubChem CID 109217325) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-(2-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
PubChem CID109217325
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name4-(2-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
SMILESCCOc1ccccc1Nc1ccnc(C(=O)NCCC(C)C)c1
InChIInChI=1S/C19H25N3O2/c1-4-24-18-8-6-5-7-16(18)22-15-10-12-20-17(13-15)19(23)21-11-9-14(2)3/h5-8,10,12-14H,4,9,11H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyALSLDQTVTJNAEB-UHFFFAOYSA-N
XLogP4.00
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109217303
4-(4-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109217326
N-[2-(3-chlorophenyl)ethyl]-4-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109218485
N-pentyl-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109217543
N-(4-chlorophenyl)-4-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109221025
N-(3,5-dimethylphenyl)-4-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109219935
4-(2-ethoxyanilino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109219228
N-(3-methoxypropyl)-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109206145
ethyl 4-[[2-(3-methylbutylcarbamoyl)-4-pyridinyl]amino]benzoate
CID 109217360
4-(2-ethoxyanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109219092
5-(2-ethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181135
4-(2,6-dichloroanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109217368

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide?
The IUPAC name of 4-(2-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide (CID 109217325) is 4-(2-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(2-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide is CCOc1ccccc1Nc1ccnc(C(=O)NCCC(C)C)c1.
What is the InChIKey of 4-(2-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide?
The InChIKey is ALSLDQTVTJNAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-4-24-18-8-6-5-7-16(18)22-15-10-12-20-17(13-15)19(23)21-11-9-14(2)3/h5-8,10,12-14H,4,9,11H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 4-(2-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide?
4-(2-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide is sourced from PubChem (CID 109217325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).