5-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)pyridine-2-carboxamide

C17H22N4O — CID 109185535

IUPAC5-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(NCCN(C)C)cn2)cc1
InChIInChI=1S/C17H22N4O/c1-13-4-6-14(7-5-13)20-17(22)16-9-8-15(12-19-16)18-10-11-21(2)3/h4-9,12,18H,10-11H2,1-3H3,(H,20,22)
InChIKeyYJWMVVFTWAMDDO-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.62
Rot. Bonds6

About 5-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)pyridine-2-carboxamide

5-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)pyridine-2-carboxamide (PubChem CID 109185535) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)pyridine-2-carboxamide
PubChem CID109185535
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name5-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(NCCN(C)C)cn2)cc1
InChIInChI=1S/C17H22N4O/c1-13-4-6-14(7-5-13)20-17(22)16-9-8-15(12-19-16)18-10-11-21(2)3/h4-9,12,18H,10-11H2,1-3H3,(H,20,22)
InChIKeyYJWMVVFTWAMDDO-UHFFFAOYSA-N
XLogP2.62
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(dimethylamino)ethylamino]-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109185542
N-(4-tert-butylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109185555
N-(4-cyanophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109185633
N-(4-bromo-3-methylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109185609
N-(4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195830
N-(4-bromophenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109186187
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
N-(4-chlorophenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109207365
5-[2-(dimethylamino)ethylamino]pyridine-2-carbothioamide
CID 115488045
N-[4-(dimethylamino)phenyl]-5-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109184150
5-[2-(dimethylamino)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide
CID 109185536

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)pyridine-2-carboxamide (CID 109185535) is 5-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2ccc(NCCN(C)C)cn2)cc1.
What is the InChIKey of 5-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)pyridine-2-carboxamide?
The InChIKey is YJWMVVFTWAMDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13-4-6-14(7-5-13)20-17(22)16-9-8-15(12-19-16)18-10-11-21(2)3/h4-9,12,18H,10-11H2,1-3H3,(H,20,22).
What are the key properties of 5-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)pyridine-2-carboxamide?
5-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)pyridine-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.62, 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-(4-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109185535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).