2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide

C15H27N5O — CID 109167778

IUPAC2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
SMILESCN(C)CCCNC(=O)c1ccnc(NCCN(C)C)c1
InChIInChI=1S/C15H27N5O/c1-19(2)10-5-7-18-15(21)13-6-8-16-14(12-13)17-9-11-20(3)4/h6,8,12H,5,7,9-11H2,1-4H3,(H,16,17)(H,18,21)
InChIKeyKOGVKXQJQGFKCS-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.74
Rot. Bonds9

About 2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide

2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide (PubChem CID 109167778) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
PubChem CID109167778
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
SMILESCN(C)CCCNC(=O)c1ccnc(NCCN(C)C)c1
InChIInChI=1S/C15H27N5O/c1-19(2)10-5-7-18-15(21)13-6-8-16-14(12-13)17-9-11-20(3)4/h6,8,12H,5,7,9-11H2,1-4H3,(H,16,17)(H,18,21)
InChIKeyKOGVKXQJQGFKCS-UHFFFAOYSA-N
XLogP0.74
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.74
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-(propylamino)pyridine-4-carboxamide
CID 55042326
N-butyl-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide
CID 109165408
2-[3-(dimethylamino)propylamino]-N-prop-2-enylpyridine-4-carboxamide
CID 109165269
N-[3-(dimethylamino)propyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109168152
2-[2-(dimethylamino)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109167796
2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109168260
2-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109167907
N-(4-acetamidophenyl)-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide
CID 109168419
6-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109153720
2-[2-(dimethylamino)ethylamino]-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
CID 109167781
2-(2,6-dichloroanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109168292
N-butyl-2-(propylamino)pyridine-4-carboxamide
CID 62185279

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide (CID 109167778) is 2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide is CN(C)CCCNC(=O)c1ccnc(NCCN(C)C)c1.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide?
The InChIKey is KOGVKXQJQGFKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-19(2)10-5-7-18-15(21)13-6-8-16-14(12-13)17-9-11-20(3)4/h6,8,12H,5,7,9-11H2,1-4H3,(H,16,17)(H,18,21).
What are the key properties of 2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide?
2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 0.74, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 109167778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).