N-[3-(dimethylamino)propyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide

C19H26N4O — CID 109168152

IUPACN-[3-(dimethylamino)propyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide
SMILESCc1ccc(CNc2cc(C(=O)NCCCN(C)C)ccn2)cc1
InChIInChI=1S/C19H26N4O/c1-15-5-7-16(8-6-15)14-22-18-13-17(9-11-20-18)19(24)21-10-4-12-23(2)3/h5-9,11,13H,4,10,12,14H2,1-3H3,(H,20,22)(H,21,24)
InChIKeyRUCOQYPECJJQGA-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.68
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide

N-[3-(dimethylamino)propyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide (PubChem CID 109168152) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide
PubChem CID109168152
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-[3-(dimethylamino)propyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide
SMILESCc1ccc(CNc2cc(C(=O)NCCCN(C)C)ccn2)cc1
InChIInChI=1S/C19H26N4O/c1-15-5-7-16(8-6-15)14-22-18-13-17(9-11-20-18)19(24)21-10-4-12-23(2)3/h5-9,11,13H,4,10,12,14H2,1-3H3,(H,20,22)(H,21,24)
InChIKeyRUCOQYPECJJQGA-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

2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109167778
N-[3-(dimethylamino)propyl]-2-(propylamino)pyridine-4-carboxamide
CID 55042326
N-butyl-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide
CID 109165408
N-[2-(2-fluorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169978
2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 62166427
2-(3-methoxypropylamino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 109167158
2-[3-(dimethylamino)propylamino]-N-prop-2-enylpyridine-4-carboxamide
CID 109165269
2-[2-(dimethylamino)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109167796
N-[2-(dimethylamino)ethyl]-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109167652
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169974
4-N-[3-(dimethylamino)propyl]-2-N-(2,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109083926
2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109168260

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide (CID 109168152) is N-[3-(dimethylamino)propyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide is Cc1ccc(CNc2cc(C(=O)NCCCN(C)C)ccn2)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide?
The InChIKey is RUCOQYPECJJQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-15-5-7-16(8-6-15)14-22-18-13-17(9-11-20-18)19(24)21-10-4-12-23(2)3/h5-9,11,13H,4,10,12,14H2,1-3H3,(H,20,22)(H,21,24).
What are the key properties of N-[3-(dimethylamino)propyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide?
N-[3-(dimethylamino)propyl]-2-[(4-methylphenyl)methylamino]pyridine-4-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 N-[3-(dimethylamino)propyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide is sourced from PubChem (CID 109168152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).