5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

C17H23N5O — CID 109229913

IUPAC5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESCN(C)CCCNc1cncc(C(=O)NCc2ccncc2)c1
InChIInChI=1S/C17H23N5O/c1-22(2)9-3-6-20-16-10-15(12-19-13-16)17(23)21-11-14-4-7-18-8-5-14/h4-5,7-8,10,12-13,20H,3,6,9,11H2,1-2H3,(H,21,23)
InChIKeyCBMRNMXEVHDXBQ-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.77
Rot. Bonds8

About 5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 109229913) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
PubChem CID109229913
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESCN(C)CCCNc1cncc(C(=O)NCc2ccncc2)c1
InChIInChI=1S/C17H23N5O/c1-22(2)9-3-6-20-16-10-15(12-19-13-16)17(23)21-11-14-4-7-18-8-5-14/h4-5,7-8,10,12-13,20H,3,6,9,11H2,1-2H3,(H,21,23)
InChIKeyCBMRNMXEVHDXBQ-UHFFFAOYSA-N
XLogP1.77
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.77
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

5-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109229900
N-(pyridin-4-ylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235489
5-[2-(dimethylamino)ethylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109229278
N-[(4-methylphenyl)methyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109232496
5-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235494
N-[2-(dimethylamino)ethyl]-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109229102
5-[3-(dimethylamino)propylamino]-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109229916
N-(4-tert-butylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109229981
5-[(4-methoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109234472
5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109277924
N-[2-(dimethylamino)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109229098
3-N-[3-(dimethylamino)propyl]-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109104288

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide (CID 109229913) is 5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide is CN(C)CCCNc1cncc(C(=O)NCc2ccncc2)c1.
What is the InChIKey of 5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is CBMRNMXEVHDXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-22(2)9-3-6-20-16-10-15(12-19-13-16)17(23)21-11-14-4-7-18-8-5-14/h4-5,7-8,10,12-13,20H,3,6,9,11H2,1-2H3,(H,21,23).
What are the key properties of 5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide has a molecular weight of 313.41 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109229913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).