N-(2-pyridin-2-ylethyl)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide

C16H16N6O — CID 71694697

IUPACN-(2-pyridin-2-ylethyl)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(Cc1nc(-c2ccncc2)n[nH]1)NCCc1ccccn1
InChIInChI=1S/C16H16N6O/c23-15(19-10-6-13-3-1-2-7-18-13)11-14-20-16(22-21-14)12-4-8-17-9-5-12/h1-5,7-9H,6,10-11H2,(H,19,23)(H,20,21,22)
InChIKeyKKAUVRREMBAPQH-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.16
Rot. Bonds6

About N-(2-pyridin-2-ylethyl)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide

N-(2-pyridin-2-ylethyl)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 71694697) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is N-(2-pyridin-2-ylethyl)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-pyridin-2-ylethyl)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide
PubChem CID71694697
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC NameN-(2-pyridin-2-ylethyl)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(Cc1nc(-c2ccncc2)n[nH]1)NCCc1ccccn1
InChIInChI=1S/C16H16N6O/c23-15(19-10-6-13-3-1-2-7-18-13)11-14-20-16(22-21-14)12-4-8-17-9-5-12/h1-5,7-9H,6,10-11H2,(H,19,23)(H,20,21,22)
InChIKeyKKAUVRREMBAPQH-UHFFFAOYSA-N
XLogP1.16
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-2-pyridin-2-ylacetamide
CID 77083716
N-ethyl-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 39850688
2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 11264149
N-(2-pyridin-2-ylethyl)-2-thiophen-3-ylacetamide
CID 32623668
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 91082228
(3S)-3-phenyl-3-pyridin-2-yl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
CID 97283340
2-methoxy-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 75508297
2-[3-(5-bromo-3-pyridinyl)-1H-1,2,4-triazol-5-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 39848914
3-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 75485072
2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[2-(2-chlorophenyl)ethyl]acetamide
CID 28783444
2-(1H-indol-6-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 112530271
3-(2-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 47141809

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-2-ylethyl)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of N-(2-pyridin-2-ylethyl)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide (CID 71694697) is N-(2-pyridin-2-ylethyl)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for N-(2-pyridin-2-ylethyl)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for N-(2-pyridin-2-ylethyl)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide is O=C(Cc1nc(-c2ccncc2)n[nH]1)NCCc1ccccn1.
What is the InChIKey of N-(2-pyridin-2-ylethyl)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is KKAUVRREMBAPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c23-15(19-10-6-13-3-1-2-7-18-13)11-14-20-16(22-21-14)12-4-8-17-9-5-12/h1-5,7-9H,6,10-11H2,(H,19,23)(H,20,21,22).
What are the key properties of N-(2-pyridin-2-ylethyl)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide?
N-(2-pyridin-2-ylethyl)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 308.35 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-2-ylethyl)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 71694697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).