N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide

C16H18N2O4S — CID 91796184

IUPACN-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
SMILESCOc1c[nH]c(C(=O)NC(c2cccs2)C2CC(O)C2)cc1=O
InChIInChI=1S/C16H18N2O4S/c1-22-13-8-17-11(7-12(13)20)16(21)18-15(9-5-10(19)6-9)14-3-2-4-23-14/h2-4,7-10,15,19H,5-6H2,1H3,(H,17,20)(H,18,21)
InChIKeyITKLWUOVSYHKLY-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.69
Rot. Bonds5

About N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide

N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide (PubChem CID 91796184) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
PubChem CID91796184
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC NameN-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
SMILESCOc1c[nH]c(C(=O)NC(c2cccs2)C2CC(O)C2)cc1=O
InChIInChI=1S/C16H18N2O4S/c1-22-13-8-17-11(7-12(13)20)16(21)18-15(9-5-10(19)6-9)14-3-2-4-23-14/h2-4,7-10,15,19H,5-6H2,1H3,(H,17,20)(H,18,21)
InChIKeyITKLWUOVSYHKLY-UHFFFAOYSA-N
XLogP1.69
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-1H-pyrazole-3-carboxamide
CID 91782379
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-oxochromene-2-carboxamide
CID 91778738
5-cyano-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 91795552
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 91779274
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-pyrazol-1-ylbenzamide
CID 91762894
N-(3,4-dimethoxyphenyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
CID 27376438
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]acetamide
CID 91763986
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-morpholin-4-ylbenzamide
CID 91776302
N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
CID 74241788
N-[cyclopentyl(thiophen-2-yl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 46452344
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 91772790
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]acetamide
CID 91795005

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide (CID 91796184) is N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide is COc1c[nH]c(C(=O)NC(c2cccs2)C2CC(O)C2)cc1=O.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide?
The InChIKey is ITKLWUOVSYHKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-22-13-8-17-11(7-12(13)20)16(21)18-15(9-5-10(19)6-9)14-3-2-4-23-14/h2-4,7-10,15,19H,5-6H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide?
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 91796184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).