2-amino-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]thiophene-3-carboxamide

C13H15N3O2S — CID 59526287

IUPAC2-amino-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]thiophene-3-carboxamide
SMILESCC(C)(O)c1ccc(-c2cc(C(N)=O)c(N)s2)cn1
InChIInChI=1S/C13H15N3O2S/c1-13(2,18)10-4-3-7(6-16-10)9-5-8(11(14)17)12(15)19-9/h3-6,18H,15H2,1-2H3,(H2,14,17)
InChIKeyKWDGJCXTTWZBIZ-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.72
Rot. Bonds3

About 2-amino-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]thiophene-3-carboxamide

2-amino-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]thiophene-3-carboxamide (PubChem CID 59526287) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-amino-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]thiophene-3-carboxamide
PubChem CID59526287
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-amino-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]thiophene-3-carboxamide
SMILESCC(C)(O)c1ccc(-c2cc(C(N)=O)c(N)s2)cn1
InChIInChI=1S/C13H15N3O2S/c1-13(2,18)10-4-3-7(6-16-10)9-5-8(11(14)17)12(15)19-9/h3-6,18H,15H2,1-2H3,(H2,14,17)
InChIKeyKWDGJCXTTWZBIZ-UHFFFAOYSA-N
XLogP1.72
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-pyridinylcarbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid
CID 880938
3-(Thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 3237026
5-pyridin-3-ylthiophene-2-carboxylic Acid
CID 4739100
4-[[(6-Thiophen-2-ylpyridine-3-carbonyl)amino]methyl]benzoic acid
CID 54760398
2-(Thiophen-2-yl)pyridine-4-carboxylic acid
CID 4739102
6-(Thiophen-2-Yl)Pyridine-3-Carboxylic Acid
CID 15411144
5-(Pyridin-4-yl)thiophene-2-carboxylic acid
CID 21928576
5-(4-Amino-3-pyridinyl)thiophene-2-carboxylic acid
CID 2052635
5-(5-Methylthiophen-2-yl)pyridine-2-carboxylic acid
CID 65638920
N-[(4-fluorophenyl)methyl]-2-[[[(2R)-2-hydroxy-2-(2-pyridyl)ethyl]-methyl-amino]methyl]-7-methyl-4-oxo-thieno[2,3-b]pyridine-5-carboxamide
CID 10005376
5-(3-Methylpyridin-4-yl)thiophene-2-carboxylic acid
CID 66280802
5-(Pyridin-3-yl)thiophene-2-carboxylic acid hydrochloride
CID 71756554

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]thiophene-3-carboxamide?
The IUPAC name of 2-amino-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]thiophene-3-carboxamide (CID 59526287) is 2-amino-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]thiophene-3-carboxamide.
What is the SMILES notation for 2-amino-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]thiophene-3-carboxamide?
The canonical SMILES for 2-amino-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]thiophene-3-carboxamide is CC(C)(O)c1ccc(-c2cc(C(N)=O)c(N)s2)cn1.
What is the InChIKey of 2-amino-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]thiophene-3-carboxamide?
The InChIKey is KWDGJCXTTWZBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-13(2,18)10-4-3-7(6-16-10)9-5-8(11(14)17)12(15)19-9/h3-6,18H,15H2,1-2H3,(H2,14,17).
What are the key properties of 2-amino-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]thiophene-3-carboxamide?
2-amino-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]thiophene-3-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.72, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]thiophene-3-carboxamide is sourced from PubChem (CID 59526287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).