2-[3-(dimethylamino)propylamino]-N-[2,6-di(propan-2-yl)phenyl]pyridine-4-carboxamide

C23H34N4O — CID 109168441

IUPAC2-[3-(dimethylamino)propylamino]-N-[2,6-di(propan-2-yl)phenyl]pyridine-4-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)c1ccnc(NCCCN(C)C)c1
InChIInChI=1S/C23H34N4O/c1-16(2)19-9-7-10-20(17(3)4)22(19)26-23(28)18-11-13-25-21(15-18)24-12-8-14-27(5)6/h7,9-11,13,15-17H,8,12,14H2,1-6H3,(H,24,25)(H,26,28)
InChIKeySLGXFFGBNPHQIV-UHFFFAOYSA-N
MW382.55 g/mol
LogP4.94
Rot. Bonds9

About 2-[3-(dimethylamino)propylamino]-N-[2,6-di(propan-2-yl)phenyl]pyridine-4-carboxamide

2-[3-(dimethylamino)propylamino]-N-[2,6-di(propan-2-yl)phenyl]pyridine-4-carboxamide (PubChem CID 109168441) has the molecular formula C23H34N4O and a molecular weight of 382.55 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propylamino]-N-[2,6-di(propan-2-yl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)propylamino]-N-[2,6-di(propan-2-yl)phenyl]pyridine-4-carboxamide
PubChem CID109168441
Molecular FormulaC23H34N4O
Molecular Weight382.55 g/mol
Exact Mass382.27
IUPAC Name2-[3-(dimethylamino)propylamino]-N-[2,6-di(propan-2-yl)phenyl]pyridine-4-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)c1ccnc(NCCCN(C)C)c1
InChIInChI=1S/C23H34N4O/c1-16(2)19-9-7-10-20(17(3)4)22(19)26-23(28)18-11-13-25-21(15-18)24-12-8-14-27(5)6/h7,9-11,13,15-17H,8,12,14H2,1-6H3,(H,24,25)(H,26,28)
InChIKeySLGXFFGBNPHQIV-UHFFFAOYSA-N
XLogP4.94
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.94
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

N-(4-acetamidophenyl)-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide
CID 109168419
2-[3-(dimethylamino)propylamino]-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109168403
2-[3-(dimethylamino)propylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-4-carboxamide
CID 109168464
2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109167778
N-butyl-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide
CID 109165408
2-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
CID 109168430
2-[3-(dimethylamino)propylamino]-N-prop-2-enylpyridine-4-carboxamide
CID 109165269
N-[3-(dimethylamino)propyl]-2-(propylamino)pyridine-4-carboxamide
CID 55042326
2-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109167907
N-(2,6-diethylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167233
methyl 3-[[2-[2-(dimethylamino)ethylamino]pyridine-4-carbonyl]amino]benzoate
CID 109167870
N-(2,6-dimethylphenyl)-2-(propylamino)pyridine-4-carboxamide
CID 62165900

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propylamino]-N-[2,6-di(propan-2-yl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-[3-(dimethylamino)propylamino]-N-[2,6-di(propan-2-yl)phenyl]pyridine-4-carboxamide (CID 109168441) is 2-[3-(dimethylamino)propylamino]-N-[2,6-di(propan-2-yl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[3-(dimethylamino)propylamino]-N-[2,6-di(propan-2-yl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[3-(dimethylamino)propylamino]-N-[2,6-di(propan-2-yl)phenyl]pyridine-4-carboxamide is CC(C)c1cccc(C(C)C)c1NC(=O)c1ccnc(NCCCN(C)C)c1.
What is the InChIKey of 2-[3-(dimethylamino)propylamino]-N-[2,6-di(propan-2-yl)phenyl]pyridine-4-carboxamide?
The InChIKey is SLGXFFGBNPHQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O/c1-16(2)19-9-7-10-20(17(3)4)22(19)26-23(28)18-11-13-25-21(15-18)24-12-8-14-27(5)6/h7,9-11,13,15-17H,8,12,14H2,1-6H3,(H,24,25)(H,26,28).
What are the key properties of 2-[3-(dimethylamino)propylamino]-N-[2,6-di(propan-2-yl)phenyl]pyridine-4-carboxamide?
2-[3-(dimethylamino)propylamino]-N-[2,6-di(propan-2-yl)phenyl]pyridine-4-carboxamide has a molecular weight of 382.55 g/mol, XLogP of 4.94, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propylamino]-N-[2,6-di(propan-2-yl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 109168441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).