5-cyano-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide

C17H17N3O3S — CID 91795552

IUPAC5-cyano-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)c(C#N)cc1C(=O)NC(c1cccs1)C1CC(O)C1
InChIInChI=1S/C17H17N3O3S/c1-9-13(7-11(8-18)16(22)19-9)17(23)20-15(10-5-12(21)6-10)14-3-2-4-24-14/h2-4,7,10,12,15,21H,5-6H2,1H3,(H,19,22)(H,20,23)
InChIKeySKUWBQSWMNGQQC-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.86
Rot. Bonds4

About 5-cyano-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide

5-cyano-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 91795552) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 5-cyano-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
PubChem CID91795552
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name5-cyano-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)c(C#N)cc1C(=O)NC(c1cccs1)C1CC(O)C1
InChIInChI=1S/C17H17N3O3S/c1-9-13(7-11(8-18)16(22)19-9)17(23)20-15(10-5-12(21)6-10)14-3-2-4-24-14/h2-4,7,10,12,15,21H,5-6H2,1H3,(H,19,22)(H,20,23)
InChIKeySKUWBQSWMNGQQC-UHFFFAOYSA-N
XLogP1.86
TPSA105.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyano-N-[(4-fluorophenyl)-(3-hydroxycyclobutyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 91788110
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
CID 91796184
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 91782926
5-cyclopropyl-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-1H-pyrazole-3-carboxamide
CID 91782379
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]propanamide
CID 91779224
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-pyrazol-1-ylbenzamide
CID 91762894
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-morpholin-4-ylbenzamide
CID 91776302
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide
CID 91770832
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-oxochromene-2-carboxamide
CID 91778738
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 91779274
5-(2-hydroxypropanoyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 70495759

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-cyano-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide (CID 91795552) is 5-cyano-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-cyano-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-cyano-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide is Cc1[nH]c(=O)c(C#N)cc1C(=O)NC(c1cccs1)C1CC(O)C1.
What is the InChIKey of 5-cyano-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is SKUWBQSWMNGQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-9-13(7-11(8-18)16(22)19-9)17(23)20-15(10-5-12(21)6-10)14-3-2-4-24-14/h2-4,7,10,12,15,21H,5-6H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 5-cyano-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide?
5-cyano-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 91795552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).