2-(3-methoxyanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide

C16H19N3O3 — CID 109166806

IUPAC2-(3-methoxyanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide
SMILESCOCCNC(=O)c1ccnc(Nc2cccc(OC)c2)c1
InChIInChI=1S/C16H19N3O3/c1-21-9-8-18-16(20)12-6-7-17-15(10-12)19-13-4-3-5-14(11-13)22-2/h3-7,10-11H,8-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyUNNIFJUIOVQBKU-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.21
Rot. Bonds7

About 2-(3-methoxyanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide

2-(3-methoxyanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide (PubChem CID 109166806) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide
PubChem CID109166806
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2-(3-methoxyanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide
SMILESCOCCNC(=O)c1ccnc(Nc2cccc(OC)c2)c1
InChIInChI=1S/C16H19N3O3/c1-21-9-8-18-16(20)12-6-7-17-15(10-12)19-13-4-3-5-14(11-13)22-2/h3-7,10-11H,8-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyUNNIFJUIOVQBKU-UHFFFAOYSA-N
XLogP2.21
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromoanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 109166839
N-[3-(dimethylamino)propyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109168244
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109166817
methyl 2-(3-methoxyanilino)pyridine-4-carboxylate
CID 68663874
N-[(4-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109170897
N-[(2-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109170757
2-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109177974
N-(3-bromophenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109178014
N-(2,6-difluorophenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109178031
N-(3-methoxypropyl)-2-(3-methylanilino)pyridine-4-carboxamide
CID 109167047
2-(3-fluoroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167115
2-(3-chloroanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109177464

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(3-methoxyanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide (CID 109166806) is 2-(3-methoxyanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(3-methoxyanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(3-methoxyanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide is COCCNC(=O)c1ccnc(Nc2cccc(OC)c2)c1.
What is the InChIKey of 2-(3-methoxyanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide?
The InChIKey is UNNIFJUIOVQBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-21-9-8-18-16(20)12-6-7-17-15(10-12)19-13-4-3-5-14(11-13)22-2/h3-7,10-11H,8-9H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 2-(3-methoxyanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide?
2-(3-methoxyanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide is sourced from PubChem (CID 109166806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).