N-[1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethyl]-6-thiophen-3-ylpyridine-3-carboxamide

C16H17N5O2S — CID 166356465

IUPACN-[1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethyl]-6-thiophen-3-ylpyridine-3-carboxamide
SMILESCC(O)c1n[nH]c(C(C)NC(=O)c2ccc(-c3ccsc3)nc2)n1
InChIInChI=1S/C16H17N5O2S/c1-9(14-19-15(10(2)22)21-20-14)18-16(23)11-3-4-13(17-7-11)12-5-6-24-8-12/h3-10,22H,1-2H3,(H,18,23)(H,19,20,21)
InChIKeyPYMDVHVQMWEWGK-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.47
Rot. Bonds5

About N-[1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethyl]-6-thiophen-3-ylpyridine-3-carboxamide

N-[1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethyl]-6-thiophen-3-ylpyridine-3-carboxamide (PubChem CID 166356465) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethyl]-6-thiophen-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethyl]-6-thiophen-3-ylpyridine-3-carboxamide
PubChem CID166356465
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC NameN-[1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethyl]-6-thiophen-3-ylpyridine-3-carboxamide
SMILESCC(O)c1n[nH]c(C(C)NC(=O)c2ccc(-c3ccsc3)nc2)n1
InChIInChI=1S/C16H17N5O2S/c1-9(14-19-15(10(2)22)21-20-14)18-16(23)11-3-4-13(17-7-11)12-5-6-24-8-12/h3-10,22H,1-2H3,(H,18,23)(H,19,20,21)
InChIKeyPYMDVHVQMWEWGK-UHFFFAOYSA-N
XLogP2.47
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethyl]-6-thiophen-3-ylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethyl]-6-thiophen-3-ylpyridine-3-carboxamide?
The IUPAC name of N-[1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethyl]-6-thiophen-3-ylpyridine-3-carboxamide (CID 166356465) is N-[1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethyl]-6-thiophen-3-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethyl]-6-thiophen-3-ylpyridine-3-carboxamide?
The canonical SMILES for N-[1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethyl]-6-thiophen-3-ylpyridine-3-carboxamide is CC(O)c1n[nH]c(C(C)NC(=O)c2ccc(-c3ccsc3)nc2)n1.
What is the InChIKey of N-[1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethyl]-6-thiophen-3-ylpyridine-3-carboxamide?
The InChIKey is PYMDVHVQMWEWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-9(14-19-15(10(2)22)21-20-14)18-16(23)11-3-4-13(17-7-11)12-5-6-24-8-12/h3-10,22H,1-2H3,(H,18,23)(H,19,20,21).
What are the key properties of N-[1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethyl]-6-thiophen-3-ylpyridine-3-carboxamide?
N-[1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethyl]-6-thiophen-3-ylpyridine-3-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethyl]-6-thiophen-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 166356465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).