4-[3-(dimethylamino)propylamino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide

C19H26N4O — CID 109207893

IUPAC4-[3-(dimethylamino)propylamino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCc1ccccc1CNC(=O)c1cc(NCCCN(C)C)ccn1
InChIInChI=1S/C19H26N4O/c1-15-7-4-5-8-16(15)14-22-19(24)18-13-17(9-11-21-18)20-10-6-12-23(2)3/h4-5,7-9,11,13H,6,10,12,14H2,1-3H3,(H,20,21)(H,22,24)
InChIKeyAJADETWMTOPEGN-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.68
Rot. Bonds8

About 4-[3-(dimethylamino)propylamino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide

4-[3-(dimethylamino)propylamino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 109207893) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propylamino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-(dimethylamino)propylamino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
PubChem CID109207893
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name4-[3-(dimethylamino)propylamino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCc1ccccc1CNC(=O)c1cc(NCCCN(C)C)ccn1
InChIInChI=1S/C19H26N4O/c1-15-7-4-5-8-16(15)14-22-19(24)18-13-17(9-11-21-18)20-10-6-12-23(2)3/h4-5,7-9,11,13H,6,10,12,14H2,1-3H3,(H,20,21)(H,22,24)
InChIKeyAJADETWMTOPEGN-UHFFFAOYSA-N
XLogP2.68
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.68
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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Related Compounds

4-[3-(dimethylamino)propylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109207906
N-[3-(dimethylamino)propyl]-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109207743
4-[3-(dimethylamino)propylamino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109207899
N-[(2-methylphenyl)methyl]-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109209919
4-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207266
4-(3,4-dimethylanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109209976
N-[3-(dimethylamino)propyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109207769
4-(2,6-dimethylanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109209978
N-(2-methoxyethyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109205668
4-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109202686
4-[3-(dimethylamino)propylamino]pyridine-2-carboxylic acid
CID 43143056
N-methyl-4-[2-(2-methylphenyl)ethylamino]pyridine-2-carboxamide
CID 112722856

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propylamino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-[3-(dimethylamino)propylamino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide (CID 109207893) is 4-[3-(dimethylamino)propylamino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[3-(dimethylamino)propylamino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[3-(dimethylamino)propylamino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide is Cc1ccccc1CNC(=O)c1cc(NCCCN(C)C)ccn1.
What is the InChIKey of 4-[3-(dimethylamino)propylamino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is AJADETWMTOPEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-15-7-4-5-8-16(15)14-22-19(24)18-13-17(9-11-21-18)20-10-6-12-23(2)3/h4-5,7-9,11,13H,6,10,12,14H2,1-3H3,(H,20,21)(H,22,24).
What are the key properties of 4-[3-(dimethylamino)propylamino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide?
4-[3-(dimethylamino)propylamino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propylamino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109207893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).