5-[2-(dimethylamino)ethylamino]-N-(3,5-dimethylphenyl)pyridine-2-carboxamide

C18H24N4O — CID 109185542

IUPAC5-[2-(dimethylamino)ethylamino]-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(NCCN(C)C)cn2)c1
InChIInChI=1S/C18H24N4O/c1-13-9-14(2)11-16(10-13)21-18(23)17-6-5-15(12-20-17)19-7-8-22(3)4/h5-6,9-12,19H,7-8H2,1-4H3,(H,21,23)
InChIKeyQSIRFVJVNPPXHS-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.92
Rot. Bonds6

About 5-[2-(dimethylamino)ethylamino]-N-(3,5-dimethylphenyl)pyridine-2-carboxamide

5-[2-(dimethylamino)ethylamino]-N-(3,5-dimethylphenyl)pyridine-2-carboxamide (PubChem CID 109185542) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethylamino]-N-(3,5-dimethylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethylamino]-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
PubChem CID109185542
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name5-[2-(dimethylamino)ethylamino]-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(NCCN(C)C)cn2)c1
InChIInChI=1S/C18H24N4O/c1-13-9-14(2)11-16(10-13)21-18(23)17-6-5-15(12-20-17)19-7-8-22(3)4/h5-6,9-12,19H,7-8H2,1-4H3,(H,21,23)
InChIKeyQSIRFVJVNPPXHS-UHFFFAOYSA-N
XLogP2.92
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109185535
N-(4-bromo-3-methylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109185609
N-(4-tert-butylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109185555
N-(3,5-dimethylphenyl)-5-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109184098
N-(3,5-dimethylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195837
N-(4-cyanophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109185633
N-(4-bromophenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109186187
N-(3,5-dimethylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191648
N-(2-tert-butylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109185554
5-[2-(dimethylamino)ethylamino]-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184198
5-[butyl(methyl)amino]-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109196048
N-(5-chloro-2-methylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109186180

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethylamino]-N-(3,5-dimethylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-[2-(dimethylamino)ethylamino]-N-(3,5-dimethylphenyl)pyridine-2-carboxamide (CID 109185542) is 5-[2-(dimethylamino)ethylamino]-N-(3,5-dimethylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[2-(dimethylamino)ethylamino]-N-(3,5-dimethylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[2-(dimethylamino)ethylamino]-N-(3,5-dimethylphenyl)pyridine-2-carboxamide is Cc1cc(C)cc(NC(=O)c2ccc(NCCN(C)C)cn2)c1.
What is the InChIKey of 5-[2-(dimethylamino)ethylamino]-N-(3,5-dimethylphenyl)pyridine-2-carboxamide?
The InChIKey is QSIRFVJVNPPXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-13-9-14(2)11-16(10-13)21-18(23)17-6-5-15(12-20-17)19-7-8-22(3)4/h5-6,9-12,19H,7-8H2,1-4H3,(H,21,23).
What are the key properties of 5-[2-(dimethylamino)ethylamino]-N-(3,5-dimethylphenyl)pyridine-2-carboxamide?
5-[2-(dimethylamino)ethylamino]-N-(3,5-dimethylphenyl)pyridine-2-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethylamino]-N-(3,5-dimethylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109185542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).