4-(ethylamino)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide

C13H18N6O — CID 81241199

IUPAC4-(ethylamino)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide
SMILESCCNc1ccncc1C(=O)NCCc1nncn1C
InChIInChI=1S/C13H18N6O/c1-3-15-11-4-6-14-8-10(11)13(20)16-7-5-12-18-17-9-19(12)2/h4,6,8-9H,3,5,7H2,1-2H3,(H,14,15)(H,16,20)
InChIKeyUSAOWZLOBXIPOE-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.61
Rot. Bonds6

About 4-(ethylamino)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide

4-(ethylamino)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide (PubChem CID 81241199) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 4-(ethylamino)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide
PubChem CID81241199
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name4-(ethylamino)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide
SMILESCCNc1ccncc1C(=O)NCCc1nncn1C
InChIInChI=1S/C13H18N6O/c1-3-15-11-4-6-14-8-10(11)13(20)16-7-5-12-18-17-9-19(12)2/h4,6,8-9H,3,5,7H2,1-2H3,(H,14,15)(H,16,20)
InChIKeyUSAOWZLOBXIPOE-UHFFFAOYSA-N
XLogP0.61
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-amino-3-oxopropyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81243085
N-[2-(dimethylamino)ethyl]-4-(ethylamino)pyridine-3-carboxamide
CID 81236873
2-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 62181122
4-(ethylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide
CID 81242250
4-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-carboxamide
CID 106327044
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(ethylamino)pyridine-3-carboxamide
CID 106050398
N-(2,2-dimethylpropyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81242453
4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-carboxamide
CID 81242784
4-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
CID 81242971
4-(ethylamino)-N-(7-methyloctyl)pyridine-3-carboxamide
CID 107817983
4-(ethylamino)-6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
CID 81243046
N-(2,2-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide
CID 103464518

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 4-(ethylamino)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide (CID 81241199) is 4-(ethylamino)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide is CCNc1ccncc1C(=O)NCCc1nncn1C.
What is the InChIKey of 4-(ethylamino)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is USAOWZLOBXIPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-3-15-11-4-6-14-8-10(11)13(20)16-7-5-12-18-17-9-19(12)2/h4,6,8-9H,3,5,7H2,1-2H3,(H,14,15)(H,16,20).
What are the key properties of 4-(ethylamino)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide?
4-(ethylamino)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 274.33 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 81241199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).