5-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide

C19H26N4O — CID 109229900

IUPAC5-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cncc(NCCCN(C)C)c2)cc1
InChIInChI=1S/C19H26N4O/c1-15-5-7-16(8-6-15)12-22-19(24)17-11-18(14-20-13-17)21-9-4-10-23(2)3/h5-8,11,13-14,21H,4,9-10,12H2,1-3H3,(H,22,24)
InChIKeyGNDMAVMRUDZUEA-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.68
Rot. Bonds8

About 5-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide

5-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 109229900) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 5-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
PubChem CID109229900
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name5-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cncc(NCCCN(C)C)c2)cc1
InChIInChI=1S/C19H26N4O/c1-15-5-7-16(8-6-15)12-22-19(24)17-11-18(14-20-13-17)21-9-4-10-23(2)3/h5-8,11,13-14,21H,4,9-10,12H2,1-3H3,(H,22,24)
InChIKeyGNDMAVMRUDZUEA-UHFFFAOYSA-N
XLogP2.68
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.68
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-[2-(dimethylamino)ethylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109229278
5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109229913
N-[2-(dimethylamino)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109229098
3-N-[2-(dimethylamino)ethyl]-5-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109104032
N-[(4-methylphenyl)methyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109232496
N-[2-(dimethylamino)ethyl]-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109229102
N-butyl-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109224364
5-[(4-methylphenyl)methylamino]-N-propylpyridine-3-carboxamide
CID 109222786
N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232216
N-[3-(dimethylamino)propyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109229797
5-[3-(dimethylamino)propylamino]-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109229916
N-(2-methoxyethyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109227649

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide (CID 109229900) is 5-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide is Cc1ccc(CNC(=O)c2cncc(NCCCN(C)C)c2)cc1.
What is the InChIKey of 5-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is GNDMAVMRUDZUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-15-5-7-16(8-6-15)12-22-19(24)17-11-18(14-20-13-17)21-9-4-10-23(2)3/h5-8,11,13-14,21H,4,9-10,12H2,1-3H3,(H,22,24).
What are the key properties of 5-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
5-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 109229900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).