5-[4-(dimethylamino)phenyl]-N-[2-(1,2,4-triazol-4-yl)ethyl]pyridine-3-carboxamide

C18H20N6O — CID 166368586

IUPAC5-[4-(dimethylamino)phenyl]-N-[2-(1,2,4-triazol-4-yl)ethyl]pyridine-3-carboxamide
SMILESCN(C)c1ccc(-c2cncc(C(=O)NCCn3cnnc3)c2)cc1
InChIInChI=1S/C18H20N6O/c1-23(2)17-5-3-14(4-6-17)15-9-16(11-19-10-15)18(25)20-7-8-24-12-21-22-13-24/h3-6,9-13H,7-8H2,1-2H3,(H,20,25)
InChIKeyQNGMQOONDWUTCZ-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.84
Rot. Bonds6

About 5-[4-(dimethylamino)phenyl]-N-[2-(1,2,4-triazol-4-yl)ethyl]pyridine-3-carboxamide

5-[4-(dimethylamino)phenyl]-N-[2-(1,2,4-triazol-4-yl)ethyl]pyridine-3-carboxamide (PubChem CID 166368586) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 5-[4-(dimethylamino)phenyl]-N-[2-(1,2,4-triazol-4-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-(dimethylamino)phenyl]-N-[2-(1,2,4-triazol-4-yl)ethyl]pyridine-3-carboxamide
PubChem CID166368586
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name5-[4-(dimethylamino)phenyl]-N-[2-(1,2,4-triazol-4-yl)ethyl]pyridine-3-carboxamide
SMILESCN(C)c1ccc(-c2cncc(C(=O)NCCn3cnnc3)c2)cc1
InChIInChI=1S/C18H20N6O/c1-23(2)17-5-3-14(4-6-17)15-9-16(11-19-10-15)18(25)20-7-8-24-12-21-22-13-24/h3-6,9-13H,7-8H2,1-2H3,(H,20,25)
InChIKeyQNGMQOONDWUTCZ-UHFFFAOYSA-N
XLogP1.84
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-amino-2-ethylbutyl)-5-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 119644073
5-[4-(dimethylamino)phenyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]pyridine-3-carboxamide
CID 87108554
N-(3-amino-2-methylpropyl)-5-[4-(dimethylamino)phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119998431
N-[2-(dimethylamino)ethyl]-5-(4-methylphenyl)pyridine-3-carboxamide
CID 46743906
5-[4-(dimethylamino)phenyl]-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]pyridine-3-carboxamide
CID 99699350
5-[4-(dimethylamino)phenyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-3-carboxamide
CID 126773779
N-butyl-5-(4-methylphenyl)pyridine-3-carboxamide
CID 53020757
5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 117088063
5-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
CID 119500985
N-(3-amino-2,2-dimethylpropyl)-5-[4-(dimethylamino)phenyl]-N-methylpyridine-3-carboxamide
CID 119657225
5-[4-(dimethylamino)anilino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236480
5-(1,3-benzodioxol-5-yl)-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 58833072

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)phenyl]-N-[2-(1,2,4-triazol-4-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-[4-(dimethylamino)phenyl]-N-[2-(1,2,4-triazol-4-yl)ethyl]pyridine-3-carboxamide (CID 166368586) is 5-[4-(dimethylamino)phenyl]-N-[2-(1,2,4-triazol-4-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[4-(dimethylamino)phenyl]-N-[2-(1,2,4-triazol-4-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[4-(dimethylamino)phenyl]-N-[2-(1,2,4-triazol-4-yl)ethyl]pyridine-3-carboxamide is CN(C)c1ccc(-c2cncc(C(=O)NCCn3cnnc3)c2)cc1.
What is the InChIKey of 5-[4-(dimethylamino)phenyl]-N-[2-(1,2,4-triazol-4-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is QNGMQOONDWUTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-23(2)17-5-3-14(4-6-17)15-9-16(11-19-10-15)18(25)20-7-8-24-12-21-22-13-24/h3-6,9-13H,7-8H2,1-2H3,(H,20,25).
What are the key properties of 5-[4-(dimethylamino)phenyl]-N-[2-(1,2,4-triazol-4-yl)ethyl]pyridine-3-carboxamide?
5-[4-(dimethylamino)phenyl]-N-[2-(1,2,4-triazol-4-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)phenyl]-N-[2-(1,2,4-triazol-4-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 166368586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).