4-[3-(dimethylamino)propylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide

C17H23N5O — CID 109207906

IUPAC4-[3-(dimethylamino)propylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
SMILESCN(C)CCCNc1ccnc(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C17H23N5O/c1-22(2)11-5-9-18-14-7-10-20-16(12-14)17(23)21-13-15-6-3-4-8-19-15/h3-4,6-8,10,12H,5,9,11,13H2,1-2H3,(H,18,20)(H,21,23)
InChIKeyMLVLGBOHGFFMOL-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.77
Rot. Bonds8

About 4-[3-(dimethylamino)propylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide

4-[3-(dimethylamino)propylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 109207906) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-(dimethylamino)propylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
PubChem CID109207906
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name4-[3-(dimethylamino)propylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
SMILESCN(C)CCCNc1ccnc(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C17H23N5O/c1-22(2)11-5-9-18-14-7-10-20-16(12-14)17(23)21-13-15-6-3-4-8-19-15/h3-4,6-8,10,12H,5,9,11,13H2,1-2H3,(H,18,20)(H,21,23)
InChIKeyMLVLGBOHGFFMOL-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

4-[3-(dimethylamino)propylamino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109207893
2-[3-(dimethylamino)propylamino]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109301703
4-[3-(dimethylamino)propylamino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109207899
4-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207266
4-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212673
N-[3-(dimethylamino)propyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109207769
4-[3-(dimethylamino)propylamino]pyridine-2-carboxylic acid
CID 43143056
4-(propan-2-ylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109201520
N-(3-methoxypropyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109206050
4-[4-(dimethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212771
N-[3-(dimethylamino)propyl]-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109207743
N-[(2-methoxyphenyl)methyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109211945

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 4-[3-(dimethylamino)propylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide (CID 109207906) is 4-[3-(dimethylamino)propylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[3-(dimethylamino)propylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[3-(dimethylamino)propylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide is CN(C)CCCNc1ccnc(C(=O)NCc2ccccn2)c1.
What is the InChIKey of 4-[3-(dimethylamino)propylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is MLVLGBOHGFFMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-22(2)11-5-9-18-14-7-10-20-16(12-14)17(23)21-13-15-6-3-4-8-19-15/h3-4,6-8,10,12H,5,9,11,13H2,1-2H3,(H,18,20)(H,21,23).
What are the key properties of 4-[3-(dimethylamino)propylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
4-[3-(dimethylamino)propylamino]-N-(pyridin-2-ylmethyl)pyridine-2-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 4-[3-(dimethylamino)propylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109207906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).