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

C14H24N4O — CID 653482

IUPACN-[3-[3-(dimethylamino)propylamino]propyl]pyridine-2-carboxamide
SMILESCN(C)CCCNCCCNC(=O)c1ccccn1
InChIInChI=1S/C14H24N4O/c1-18(2)12-6-9-15-8-5-11-17-14(19)13-7-3-4-10-16-13/h3-4,7,10,15H,5-6,8-9,11-12H2,1-2H3,(H,17,19)
InChIKeyZNYTXVCMDSUCAP-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.74
Rot. Bonds9

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

N-[3-[3-(dimethylamino)propylamino]propyl]pyridine-2-carboxamide (PubChem CID 653482) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[3-[3-(dimethylamino)propylamino]propyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(dimethylamino)propylamino]propyl]pyridine-2-carboxamide
PubChem CID653482
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-[3-[3-(dimethylamino)propylamino]propyl]pyridine-2-carboxamide
SMILESCN(C)CCCNCCCNC(=O)c1ccccn1
InChIInChI=1S/C14H24N4O/c1-18(2)12-6-9-15-8-5-11-17-14(19)13-7-3-4-10-16-13/h3-4,7,10,15H,5-6,8-9,11-12H2,1-2H3,(H,17,19)
InChIKeyZNYTXVCMDSUCAP-UHFFFAOYSA-N
XLogP0.74
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.74
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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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(dimethylamino)propylamino]propyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-[3-(dimethylamino)propylamino]propyl]pyridine-2-carboxamide (CID 653482) is N-[3-[3-(dimethylamino)propylamino]propyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[3-(dimethylamino)propylamino]propyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[3-(dimethylamino)propylamino]propyl]pyridine-2-carboxamide is CN(C)CCCNCCCNC(=O)c1ccccn1.
What is the InChIKey of N-[3-[3-(dimethylamino)propylamino]propyl]pyridine-2-carboxamide?
The InChIKey is ZNYTXVCMDSUCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-18(2)12-6-9-15-8-5-11-17-14(19)13-7-3-4-10-16-13/h3-4,7,10,15H,5-6,8-9,11-12H2,1-2H3,(H,17,19).
What are the key properties of N-[3-[3-(dimethylamino)propylamino]propyl]pyridine-2-carboxamide?
N-[3-[3-(dimethylamino)propylamino]propyl]pyridine-2-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 0.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(dimethylamino)propylamino]propyl]pyridine-2-carboxamide is sourced from PubChem (CID 653482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).