2-ethoxy-N-[4-(N-methylanilino)butyl]pyridine-4-carboxamide

C19H25N3O2 — CID 86968104

IUPAC2-ethoxy-N-[4-(N-methylanilino)butyl]pyridine-4-carboxamide
SMILESCCOc1cc(C(=O)NCCCCN(C)c2ccccc2)ccn1
InChIInChI=1S/C19H25N3O2/c1-3-24-18-15-16(11-13-20-18)19(23)21-12-7-8-14-22(2)17-9-5-4-6-10-17/h4-6,9-11,13,15H,3,7-8,12,14H2,1-2H3,(H,21,23)
InChIKeyBUFCKENJMUVVLF-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.13
Rot. Bonds9

About 2-ethoxy-N-[4-(N-methylanilino)butyl]pyridine-4-carboxamide

2-ethoxy-N-[4-(N-methylanilino)butyl]pyridine-4-carboxamide (PubChem CID 86968104) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-ethoxy-N-[4-(N-methylanilino)butyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-(N-methylanilino)butyl]pyridine-4-carboxamide
PubChem CID86968104
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-ethoxy-N-[4-(N-methylanilino)butyl]pyridine-4-carboxamide
SMILESCCOc1cc(C(=O)NCCCCN(C)c2ccccc2)ccn1
InChIInChI=1S/C19H25N3O2/c1-3-24-18-15-16(11-13-20-18)19(23)21-12-7-8-14-22(2)17-9-5-4-6-10-17/h4-6,9-11,13,15H,3,7-8,12,14H2,1-2H3,(H,21,23)
InChIKeyBUFCKENJMUVVLF-UHFFFAOYSA-N
XLogP3.13
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-4-methoxy-N-[3-(N-methylanilino)propyl]benzamide
CID 37315779
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
3-bromo-N-[3-(N-methylanilino)propyl]benzamide
CID 8802899
N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide
CID 31316694
1-ethyl-N-[4-(N-methylanilino)butyl]benzotriazole-5-carboxamide
CID 60566120
methyl 4-[3-(N-methylanilino)propylcarbamoyl]benzoate
CID 27746721
4-methyl-N-[3-(N-methylanilino)propyl]benzamide
CID 27746793
2-ethoxy-N-[2-(3-methylphenyl)ethyl]pyridine-4-carboxamide
CID 86967702
2-chloro-N-[3-(N-ethylanilino)propyl]pyridine-4-carboxamide
CID 37245133
4-bromo-N-[3-(N-methylanilino)propyl]benzamide
CID 8802898
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
N-(6-ethoxypyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 66327351

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-(N-methylanilino)butyl]pyridine-4-carboxamide?
The IUPAC name of 2-ethoxy-N-[4-(N-methylanilino)butyl]pyridine-4-carboxamide (CID 86968104) is 2-ethoxy-N-[4-(N-methylanilino)butyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[4-(N-methylanilino)butyl]pyridine-4-carboxamide?
The canonical SMILES for 2-ethoxy-N-[4-(N-methylanilino)butyl]pyridine-4-carboxamide is CCOc1cc(C(=O)NCCCCN(C)c2ccccc2)ccn1.
What is the InChIKey of 2-ethoxy-N-[4-(N-methylanilino)butyl]pyridine-4-carboxamide?
The InChIKey is BUFCKENJMUVVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-3-24-18-15-16(11-13-20-18)19(23)21-12-7-8-14-22(2)17-9-5-4-6-10-17/h4-6,9-11,13,15H,3,7-8,12,14H2,1-2H3,(H,21,23).
What are the key properties of 2-ethoxy-N-[4-(N-methylanilino)butyl]pyridine-4-carboxamide?
2-ethoxy-N-[4-(N-methylanilino)butyl]pyridine-4-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-(N-methylanilino)butyl]pyridine-4-carboxamide is sourced from PubChem (CID 86968104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).