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

C19H25N3O2 — CID 109217326

IUPAC4-(4-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
SMILESCCOc1ccc(Nc2ccnc(C(=O)NCCC(C)C)c2)cc1
InChIInChI=1S/C19H25N3O2/c1-4-24-17-7-5-15(6-8-17)22-16-10-12-20-18(13-16)19(23)21-11-9-14(2)3/h5-8,10,12-14H,4,9,11H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyYBBPUMLKILSCPK-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.00
Rot. Bonds8

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

4-(4-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide (PubChem CID 109217326) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-(4-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
PubChem CID109217326
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name4-(4-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
SMILESCCOc1ccc(Nc2ccnc(C(=O)NCCC(C)C)c2)cc1
InChIInChI=1S/C19H25N3O2/c1-4-24-17-7-5-15(6-8-17)22-16-10-12-20-18(13-16)19(23)21-11-9-14(2)3/h5-8,10,12-14H,4,9,11H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyYBBPUMLKILSCPK-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

ethyl 4-[[2-(3-methylbutylcarbamoyl)-4-pyridinyl]amino]benzoate
CID 109217360
4-(4-cyanoanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109217376
4-(2-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109217325
4-(4-ethoxyanilino)pyridine-2-carboxylic acid
CID 43326061
4-(4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211207
4-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211451
N-(3-methylbutyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109217303
4-(3,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109219903
4-(4-ethoxyanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210235
4-(2,6-dichloroanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109217368
N-(3-methoxypropyl)-4-(4-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109206146
N-(2-chlorophenyl)-4-(4-ethoxyanilino)pyridine-2-carboxamide
CID 109220864

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide?
The IUPAC name of 4-(4-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide (CID 109217326) is 4-(4-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(4-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide is CCOc1ccc(Nc2ccnc(C(=O)NCCC(C)C)c2)cc1.
What is the InChIKey of 4-(4-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide?
The InChIKey is YBBPUMLKILSCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-4-24-17-7-5-15(6-8-17)22-16-10-12-20-18(13-16)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-(4-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide?
4-(4-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-(4-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide is sourced from PubChem (CID 109217326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).