2-[3-(dimethylamino)propylamino]-N-prop-2-enylpyridine-4-carboxamide

C14H22N4O — CID 109165269

IUPAC2-[3-(dimethylamino)propylamino]-N-prop-2-enylpyridine-4-carboxamide
SMILESC=CCNC(=O)c1ccnc(NCCCN(C)C)c1
InChIInChI=1S/C14H22N4O/c1-4-7-17-14(19)12-6-9-16-13(11-12)15-8-5-10-18(2)3/h4,6,9,11H,1,5,7-8,10H2,2-3H3,(H,15,16)(H,17,19)
InChIKeyIYTSQOVRORNPIL-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.36
Rot. Bonds8

About 2-[3-(dimethylamino)propylamino]-N-prop-2-enylpyridine-4-carboxamide

2-[3-(dimethylamino)propylamino]-N-prop-2-enylpyridine-4-carboxamide (PubChem CID 109165269) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propylamino]-N-prop-2-enylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)propylamino]-N-prop-2-enylpyridine-4-carboxamide
PubChem CID109165269
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-[3-(dimethylamino)propylamino]-N-prop-2-enylpyridine-4-carboxamide
SMILESC=CCNC(=O)c1ccnc(NCCCN(C)C)c1
InChIInChI=1S/C14H22N4O/c1-4-7-17-14(19)12-6-9-16-13(11-12)15-8-5-10-18(2)3/h4,6,9,11H,1,5,7-8,10H2,2-3H3,(H,15,16)(H,17,19)
InChIKeyIYTSQOVRORNPIL-UHFFFAOYSA-N
XLogP1.36
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109167778
N-butyl-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide
CID 109165408
N-[3-(dimethylamino)propyl]-2-(propylamino)pyridine-4-carboxamide
CID 55042326
N-(4-acetamidophenyl)-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide
CID 109168419
2-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109167907
N-[3-(dimethylamino)propyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109168152
2-[3-(dimethylamino)propylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-4-carboxamide
CID 109168464
6-[3-(dimethylamino)propylamino]-2-methyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 109361367
2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109168260
6-[3-(dimethylamino)propylamino]-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 112852103
2-[3-(dimethylamino)propylamino]-N-[2,6-di(propan-2-yl)phenyl]pyridine-4-carboxamide
CID 109168441
2-[2-(dimethylamino)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109167796

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propylamino]-N-prop-2-enylpyridine-4-carboxamide?
The IUPAC name of 2-[3-(dimethylamino)propylamino]-N-prop-2-enylpyridine-4-carboxamide (CID 109165269) is 2-[3-(dimethylamino)propylamino]-N-prop-2-enylpyridine-4-carboxamide.
What is the SMILES notation for 2-[3-(dimethylamino)propylamino]-N-prop-2-enylpyridine-4-carboxamide?
The canonical SMILES for 2-[3-(dimethylamino)propylamino]-N-prop-2-enylpyridine-4-carboxamide is C=CCNC(=O)c1ccnc(NCCCN(C)C)c1.
What is the InChIKey of 2-[3-(dimethylamino)propylamino]-N-prop-2-enylpyridine-4-carboxamide?
The InChIKey is IYTSQOVRORNPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-4-7-17-14(19)12-6-9-16-13(11-12)15-8-5-10-18(2)3/h4,6,9,11H,1,5,7-8,10H2,2-3H3,(H,15,16)(H,17,19).
What are the key properties of 2-[3-(dimethylamino)propylamino]-N-prop-2-enylpyridine-4-carboxamide?
2-[3-(dimethylamino)propylamino]-N-prop-2-enylpyridine-4-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.36, 8 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-prop-2-enylpyridine-4-carboxamide is sourced from PubChem (CID 109165269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).