N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide

C15H16N6O3S — CID 163310420

IUPACN-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide
SMILESCc1sc(-n2cnnn2)c(C(=O)NCC(O)c2cccc(=O)[nH]2)c1C
InChIInChI=1S/C15H16N6O3S/c1-8-9(2)25-15(21-7-17-19-20-21)13(8)14(24)16-6-11(22)10-4-3-5-12(23)18-10/h3-5,7,11,22H,6H2,1-2H3,(H,16,24)(H,18,23)
InChIKeyNONIYKACSXOANA-UHFFFAOYSA-N
MW360.40 g/mol
LogP0.49
Rot. Bonds5

About N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide

N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide (PubChem CID 163310420) has the molecular formula C15H16N6O3S and a molecular weight of 360.40 g/mol. Its IUPAC name is N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide
PubChem CID163310420
Molecular FormulaC15H16N6O3S
Molecular Weight360.40 g/mol
Exact Mass360.10
IUPAC NameN-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide
SMILESCc1sc(-n2cnnn2)c(C(=O)NCC(O)c2cccc(=O)[nH]2)c1C
InChIInChI=1S/C15H16N6O3S/c1-8-9(2)25-15(21-7-17-19-20-21)13(8)14(24)16-6-11(22)10-4-3-5-12(23)18-10/h3-5,7,11,22H,6H2,1-2H3,(H,16,24)(H,18,23)
InChIKeyNONIYKACSXOANA-UHFFFAOYSA-N
XLogP0.49
TPSA125.79 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(4-hydroxyphenyl)ethyl]-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide
CID 125433878
4,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide
CID 125432810
4,5-dimethyl-N-[2-(2-phenylimidazol-1-yl)ethyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide
CID 125432851
N-cycloheptyl-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide
CID 45492077
4,5-dimethyl-2-(tetrazol-1-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]thiophene-3-carboxamide
CID 125431094
4,5-dimethyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide
CID 125432731
4,5-dimethyl-2-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide
CID 125433837
formic acid;methyl 2-[(2R,5S)-5-[[[4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carbonyl]amino]methyl]-1-methylpyrrolidin-2-yl]acetate
CID 171707065
4,5-dimethyl-2-pyrrol-1-yl-N'-[4-(tetrazol-1-yl)benzoyl]thiophene-3-carbohydrazide
CID 31261165
N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4-imidazol-1-ylbenzamide
CID 164690314
4,5-dimethyl-2-(tetrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]thiophene-3-carboxamide
CID 125431047
4,5-dimethyl-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide
CID 128962606

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide (CID 163310420) is N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide is Cc1sc(-n2cnnn2)c(C(=O)NCC(O)c2cccc(=O)[nH]2)c1C.
What is the InChIKey of N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide?
The InChIKey is NONIYKACSXOANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3S/c1-8-9(2)25-15(21-7-17-19-20-21)13(8)14(24)16-6-11(22)10-4-3-5-12(23)18-10/h3-5,7,11,22H,6H2,1-2H3,(H,16,24)(H,18,23).
What are the key properties of N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide?
N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide has a molecular weight of 360.40 g/mol, XLogP of 0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide is sourced from PubChem (CID 163310420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).