N-[3-(dimethylamino)propyl]-6-[(3-methylphenyl)methylamino]pyridine-3-carboxamide

C19H26N4O — CID 109154379

IUPACN-[3-(dimethylamino)propyl]-6-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCc1cccc(CNc2ccc(C(=O)NCCCN(C)C)cn2)c1
InChIInChI=1S/C19H26N4O/c1-15-6-4-7-16(12-15)13-21-18-9-8-17(14-22-18)19(24)20-10-5-11-23(2)3/h4,6-9,12,14H,5,10-11,13H2,1-3H3,(H,20,24)(H,21,22)
InChIKeyOFKUDUISYHMZQG-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.68
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-6-[(3-methylphenyl)methylamino]pyridine-3-carboxamide

N-[3-(dimethylamino)propyl]-6-[(3-methylphenyl)methylamino]pyridine-3-carboxamide (PubChem CID 109154379) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-6-[(3-methylphenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-6-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
PubChem CID109154379
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-[3-(dimethylamino)propyl]-6-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCc1cccc(CNc2ccc(C(=O)NCCCN(C)C)cn2)c1
InChIInChI=1S/C19H26N4O/c1-15-6-4-7-16(12-15)13-21-18-9-8-17(14-22-18)19(24)20-10-5-11-23(2)3/h4,6-9,12,14H,5,10-11,13H2,1-3H3,(H,20,24)(H,21,22)
InChIKeyOFKUDUISYHMZQG-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

6-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109153720
N-[3-(dimethylamino)propyl]-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109154394
N-[2-(4-methoxyphenyl)ethyl]-6-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155812
4-N-[3-(dimethylamino)propyl]-2-N-[(3-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109083872
N-[(3-methylphenyl)methyl]-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109155882
N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyridine-3-carboxamide
CID 109154437
6-[2-(2-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109155884
5-[(3-methylphenyl)methylamino]-N-pentylpyrazine-2-carboxamide
CID 109280397
5-(benzylamino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 109277739
N-[3-(dimethylamino)propyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109168152
6-[3-(dimethylamino)propylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109154237
6-[(3-methylphenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109155845

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-6-[(3-methylphenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-6-[(3-methylphenyl)methylamino]pyridine-3-carboxamide (CID 109154379) is N-[3-(dimethylamino)propyl]-6-[(3-methylphenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-6-[(3-methylphenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-6-[(3-methylphenyl)methylamino]pyridine-3-carboxamide is Cc1cccc(CNc2ccc(C(=O)NCCCN(C)C)cn2)c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-6-[(3-methylphenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is OFKUDUISYHMZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-15-6-4-7-16(12-15)13-21-18-9-8-17(14-22-18)19(24)20-10-5-11-23(2)3/h4,6-9,12,14H,5,10-11,13H2,1-3H3,(H,20,24)(H,21,22).
What are the key properties of N-[3-(dimethylamino)propyl]-6-[(3-methylphenyl)methylamino]pyridine-3-carboxamide?
N-[3-(dimethylamino)propyl]-6-[(3-methylphenyl)methylamino]pyridine-3-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]-6-[(3-methylphenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109154379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).