2-[3-(dimethylamino)propylamino]-N-(3-methoxyphenyl)pyridine-4-carboxamide

C18H24N4O2 — CID 109168403

IUPAC2-[3-(dimethylamino)propylamino]-N-(3-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1cccc(NC(=O)c2ccnc(NCCCN(C)C)c2)c1
InChIInChI=1S/C18H24N4O2/c1-22(2)11-5-9-19-17-12-14(8-10-20-17)18(23)21-15-6-4-7-16(13-15)24-3/h4,6-8,10,12-13H,5,9,11H2,1-3H3,(H,19,20)(H,21,23)
InChIKeyQBRUUHRENUMFPW-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.71
Rot. Bonds8

About 2-[3-(dimethylamino)propylamino]-N-(3-methoxyphenyl)pyridine-4-carboxamide

2-[3-(dimethylamino)propylamino]-N-(3-methoxyphenyl)pyridine-4-carboxamide (PubChem CID 109168403) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propylamino]-N-(3-methoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)propylamino]-N-(3-methoxyphenyl)pyridine-4-carboxamide
PubChem CID109168403
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-[3-(dimethylamino)propylamino]-N-(3-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1cccc(NC(=O)c2ccnc(NCCCN(C)C)c2)c1
InChIInChI=1S/C18H24N4O2/c1-22(2)11-5-9-19-17-12-14(8-10-20-17)18(23)21-15-6-4-7-16(13-15)24-3/h4,6-8,10,12-13H,5,9,11H2,1-3H3,(H,19,20)(H,21,23)
InChIKeyQBRUUHRENUMFPW-UHFFFAOYSA-N
XLogP2.71
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.71
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

N-[3-(dimethylamino)propyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109168244
2-[2-(4-methoxyphenoxy)ethylamino]-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109174968
N-(4-acetamidophenyl)-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide
CID 109168419
methyl 3-[[2-[2-(dimethylamino)ethylamino]pyridine-4-carbonyl]amino]benzoate
CID 109167870
N-(3-chloro-4-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]pyridine-4-carboxamide
CID 109167847
2-[3-(dimethylamino)propylamino]-N-[2,6-di(propan-2-yl)phenyl]pyridine-4-carboxamide
CID 109168441
2-(4-ethoxyanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109177953
2-[2-(3-methoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridine-4-carboxamide
CID 109172917
N-(3-acetylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172828
1-N-[2-(dimethylamino)ethyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109045806
2-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109177974
2-(butylamino)-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 109165609

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propylamino]-N-(3-methoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-[3-(dimethylamino)propylamino]-N-(3-methoxyphenyl)pyridine-4-carboxamide (CID 109168403) is 2-[3-(dimethylamino)propylamino]-N-(3-methoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[3-(dimethylamino)propylamino]-N-(3-methoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[3-(dimethylamino)propylamino]-N-(3-methoxyphenyl)pyridine-4-carboxamide is COc1cccc(NC(=O)c2ccnc(NCCCN(C)C)c2)c1.
What is the InChIKey of 2-[3-(dimethylamino)propylamino]-N-(3-methoxyphenyl)pyridine-4-carboxamide?
The InChIKey is QBRUUHRENUMFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-22(2)11-5-9-19-17-12-14(8-10-20-17)18(23)21-15-6-4-7-16(13-15)24-3/h4,6-8,10,12-13H,5,9,11H2,1-3H3,(H,19,20)(H,21,23).
What are the key properties of 2-[3-(dimethylamino)propylamino]-N-(3-methoxyphenyl)pyridine-4-carboxamide?
2-[3-(dimethylamino)propylamino]-N-(3-methoxyphenyl)pyridine-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propylamino]-N-(3-methoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109168403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).