5-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide

C18H23N3O2 — CID 109228089

IUPAC5-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
SMILESCOCCCNC(=O)c1cncc(Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H23N3O2/c1-13-5-6-16(9-14(13)2)21-17-10-15(11-19-12-17)18(22)20-7-4-8-23-3/h5-6,9-12,21H,4,7-8H2,1-3H3,(H,20,22)
InChIKeyRHZOXVYXJIYZTA-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.21
Rot. Bonds7

About 5-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide

5-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide (PubChem CID 109228089) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 5-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
PubChem CID109228089
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name5-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
SMILESCOCCCNC(=O)c1cncc(Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H23N3O2/c1-13-5-6-16(9-14(13)2)21-17-10-15(11-19-12-17)18(22)20-7-4-8-23-3/h5-6,9-12,21H,4,7-8H2,1-3H3,(H,20,22)
InChIKeyRHZOXVYXJIYZTA-UHFFFAOYSA-N
XLogP3.21
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3,4-difluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228185
methyl 3-[[5-(3-methoxypropylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109228138
N-(3-methoxypropyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109228132
5-(3,4-dimethylanilino)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242892
2-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167052
N-butyl-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109224477
5-anilino-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227713
5-(2,4-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228170
N-(3-methoxypropyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109228070
5-(2,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227724
ethyl 4-[[5-(2-methoxyethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109227795
5-hydroxy-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 63865493

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide?
The IUPAC name of 5-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide (CID 109228089) is 5-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide is COCCCNC(=O)c1cncc(Nc2ccc(C)c(C)c2)c1.
What is the InChIKey of 5-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide?
The InChIKey is RHZOXVYXJIYZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-5-6-16(9-14(13)2)21-17-10-15(11-19-12-17)18(22)20-7-4-8-23-3/h5-6,9-12,21H,4,7-8H2,1-3H3,(H,20,22).
What are the key properties of 5-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide?
5-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide is sourced from PubChem (CID 109228089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).