2-(2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide

C18H23N3O3 — CID 109167087

IUPAC2-(2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
SMILESCOCCCNC(=O)c1ccnc(Nc2cc(C)ccc2OC)c1
InChIInChI=1S/C18H23N3O3/c1-13-5-6-16(24-3)15(11-13)21-17-12-14(7-9-19-17)18(22)20-8-4-10-23-2/h5-7,9,11-12H,4,8,10H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyBNBNEOPDAZWJCQ-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.91
Rot. Bonds8

About 2-(2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide

2-(2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide (PubChem CID 109167087) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
PubChem CID109167087
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-(2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
SMILESCOCCCNC(=O)c1ccnc(Nc2cc(C)ccc2OC)c1
InChIInChI=1S/C18H23N3O3/c1-13-5-6-16(24-3)15(11-13)21-17-12-14(7-9-19-17)18(22)20-8-4-10-23-2/h5-7,9,11-12H,4,8,10H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyBNBNEOPDAZWJCQ-UHFFFAOYSA-N
XLogP2.91
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.91
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-(2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167090
N-(3-methoxypropyl)-2-(3-methylanilino)pyridine-4-carboxamide
CID 109167047
2-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167052
2-(2,5-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167133
N-(4-ethylphenyl)-2-(2-methoxy-5-methylanilino)pyridine-4-carboxamide
CID 109176882
2-(2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 109174915
methyl 4-chloro-3-[[4-(3-methoxypropylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109167103
N-(3-acetylphenyl)-2-(2-methoxy-5-methylanilino)pyridine-4-carboxamide
CID 109178248
2-(4-chloro-2,5-dimethoxyanilino)-N-pentylpyridine-4-carboxamide
CID 109175390
2-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167135
N-[(3,4-dimethoxyphenyl)methyl]-2-(2,4-dimethylanilino)pyridine-4-carboxamide
CID 109173893
2-(3-fluoroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167115

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide?
The IUPAC name of 2-(2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide (CID 109167087) is 2-(2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide is COCCCNC(=O)c1ccnc(Nc2cc(C)ccc2OC)c1.
What is the InChIKey of 2-(2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide?
The InChIKey is BNBNEOPDAZWJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13-5-6-16(24-3)15(11-13)21-17-12-14(7-9-19-17)18(22)20-8-4-10-23-2/h5-7,9,11-12H,4,8,10H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 2-(2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide?
2-(2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide is sourced from PubChem (CID 109167087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).