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

C17H30N4O — CID 109168202

IUPACN-[3-(dimethylamino)propyl]-2-(dipropylamino)pyridine-4-carboxamide
SMILESCCCN(CCC)c1cc(C(=O)NCCCN(C)C)ccn1
InChIInChI=1S/C17H30N4O/c1-5-11-21(12-6-2)16-14-15(8-10-18-16)17(22)19-9-7-13-20(3)4/h8,10,14H,5-7,9,11-13H2,1-4H3,(H,19,22)
InChIKeyIAZOUBWWOVSTPM-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.39
Rot. Bonds10

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

N-[3-(dimethylamino)propyl]-2-(dipropylamino)pyridine-4-carboxamide (PubChem CID 109168202) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(dipropylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(dipropylamino)pyridine-4-carboxamide
PubChem CID109168202
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC NameN-[3-(dimethylamino)propyl]-2-(dipropylamino)pyridine-4-carboxamide
SMILESCCCN(CCC)c1cc(C(=O)NCCCN(C)C)ccn1
InChIInChI=1S/C17H30N4O/c1-5-11-21(12-6-2)16-14-15(8-10-18-16)17(22)19-9-7-13-20(3)4/h8,10,14H,5-7,9,11-13H2,1-4H3,(H,19,22)
InChIKeyIAZOUBWWOVSTPM-UHFFFAOYSA-N
XLogP2.39
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109083911
2-(diethylamino)-N-pentylpyridine-4-carboxamide
CID 109174759
N-[3-(dimethylamino)propyl]-2-(propylamino)pyridine-4-carboxamide
CID 55042326
N-butyl-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide
CID 109165408
2-(dimethylamino)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 84574435
2-(dipropylamino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172735
2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109167778
N-tert-butyl-2-(dipropylamino)pyridine-4-carboxamide
CID 109174998
2-bromo-N-[4-(dimethylamino)butyl]pyridine-4-carboxamide
CID 103755357
N-(3,4-dimethylphenyl)-2-(dipropylamino)pyridine-4-carboxamide
CID 109175898
4-N-[3-(dimethylamino)propyl]-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078222
N-[3-(dimethylamino)propyl]pyridine-4-carboxamide;hydrochloride
CID 110755338

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(dipropylamino)pyridine-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(dipropylamino)pyridine-4-carboxamide (CID 109168202) is N-[3-(dimethylamino)propyl]-2-(dipropylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(dipropylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(dipropylamino)pyridine-4-carboxamide is CCCN(CCC)c1cc(C(=O)NCCCN(C)C)ccn1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(dipropylamino)pyridine-4-carboxamide?
The InChIKey is IAZOUBWWOVSTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-5-11-21(12-6-2)16-14-15(8-10-18-16)17(22)19-9-7-13-20(3)4/h8,10,14H,5-7,9,11-13H2,1-4H3,(H,19,22).
What are the key properties of N-[3-(dimethylamino)propyl]-2-(dipropylamino)pyridine-4-carboxamide?
N-[3-(dimethylamino)propyl]-2-(dipropylamino)pyridine-4-carboxamide has a molecular weight of 306.45 g/mol, XLogP of 2.39, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(dipropylamino)pyridine-4-carboxamide is sourced from PubChem (CID 109168202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).