N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide

C13H13N3O3S — CID 18109519

IUPACN-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2ncccc2O)s1
InChIInChI=1S/C13H13N3O3S/c1-8-4-5-10(20-8)13(19)15-7-11(18)16-12-9(17)3-2-6-14-12/h2-6,17H,7H2,1H3,(H,15,19)(H,14,16,18)
InChIKeyATUOCLSYPKGJFF-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.53
Rot. Bonds4

About N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide

N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide (PubChem CID 18109519) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
PubChem CID18109519
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC NameN-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2ncccc2O)s1
InChIInChI=1S/C13H13N3O3S/c1-8-4-5-10(20-8)13(19)15-7-11(18)16-12-9(17)3-2-6-14-12/h2-6,17H,7H2,1H3,(H,15,19)(H,14,16,18)
InChIKeyATUOCLSYPKGJFF-UHFFFAOYSA-N
XLogP1.53
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]thiophene-2-carboxamide
CID 18107585
N-(3-methyl-2-pyridinyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 35032439
4-amino-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 115597400
2-amino-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]acetamide
CID 115597399
2-[(5-methylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 63654434
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 26661051
3-bromo-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 18109524
3-chloro-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 30161822
3,4-difluoro-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 60550646
N-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 30905433
5-methyl-N-[2-oxo-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]ethyl]thiophene-2-carboxamide
CID 55933830
N-[2-(4-fluoro-2-methylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 31458228

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide (CID 18109519) is N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCC(=O)Nc2ncccc2O)s1.
What is the InChIKey of N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is ATUOCLSYPKGJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-8-4-5-10(20-8)13(19)15-7-11(18)16-12-9(17)3-2-6-14-12/h2-6,17H,7H2,1H3,(H,15,19)(H,14,16,18).
What are the key properties of N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 291.33 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 18109519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).