3-(ethylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide

C13H18N6O — CID 62839172

IUPAC3-(ethylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide
SMILESCCNC(C)CC(=O)Nc1ccc(-n2cncn2)nc1
InChIInChI=1S/C13H18N6O/c1-3-15-10(2)6-13(20)18-11-4-5-12(16-7-11)19-9-14-8-17-19/h4-5,7-10,15H,3,6H2,1-2H3,(H,18,20)
InChIKeyLMXVGQJCQUQTEC-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.99
Rot. Bonds6

About 3-(ethylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide

3-(ethylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide (PubChem CID 62839172) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 3-(ethylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide
PubChem CID62839172
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name3-(ethylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide
SMILESCCNC(C)CC(=O)Nc1ccc(-n2cncn2)nc1
InChIInChI=1S/C13H18N6O/c1-3-15-10(2)6-13(20)18-11-4-5-12(16-7-11)19-9-14-8-17-19/h4-5,7-10,15H,3,6H2,1-2H3,(H,18,20)
InChIKeyLMXVGQJCQUQTEC-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-2-methyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 62669805
2-methyl-3-(methylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 79195681
5-oxo-5-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]pentanoic acid
CID 60941239
1-methyl-1-(3-methylbutan-2-yl)-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
CID 75461242
N-[6-(dimethylamino)-3-pyridinyl]-3-(ethylamino)butanamide
CID 62838640
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(ethylamino)butanamide
CID 62838457
2-(4-bromo-2-methylphenyl)sulfanyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide
CID 25343377
1-[(2R)-2-hydroxy-2-methylbutyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
CID 94815212
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 55566962
3-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
CID 25349174
N-(5-methylheptan-3-yl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 43691593
1-[1-(furan-2-yl)ethyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
CID 47040652

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide?
The IUPAC name of 3-(ethylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide (CID 62839172) is 3-(ethylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide.
What is the SMILES notation for 3-(ethylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide?
The canonical SMILES for 3-(ethylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide is CCNC(C)CC(=O)Nc1ccc(-n2cncn2)nc1.
What is the InChIKey of 3-(ethylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide?
The InChIKey is LMXVGQJCQUQTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-3-15-10(2)6-13(20)18-11-4-5-12(16-7-11)19-9-14-8-17-19/h4-5,7-10,15H,3,6H2,1-2H3,(H,18,20).
What are the key properties of 3-(ethylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide?
3-(ethylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide has a molecular weight of 274.33 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide is sourced from PubChem (CID 62839172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).