N-[(1-methylsulfanylcyclobutyl)methyl]-4-oxo-1H-pyridine-3-carboxamide

C12H16N2O2S — CID 114117442

IUPACN-[(1-methylsulfanylcyclobutyl)methyl]-4-oxo-1H-pyridine-3-carboxamide
SMILESCSC1(CNC(=O)c2c[nH]ccc2=O)CCC1
InChIInChI=1S/C12H16N2O2S/c1-17-12(4-2-5-12)8-14-11(16)9-7-13-6-3-10(9)15/h3,6-7H,2,4-5,8H2,1H3,(H,13,15)(H,14,16)
InChIKeyKMFTVUCUZNDDSC-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.39
Rot. Bonds4

About N-[(1-methylsulfanylcyclobutyl)methyl]-4-oxo-1H-pyridine-3-carboxamide

N-[(1-methylsulfanylcyclobutyl)methyl]-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 114117442) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-[(1-methylsulfanylcyclobutyl)methyl]-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-methylsulfanylcyclobutyl)methyl]-4-oxo-1H-pyridine-3-carboxamide
PubChem CID114117442
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC NameN-[(1-methylsulfanylcyclobutyl)methyl]-4-oxo-1H-pyridine-3-carboxamide
SMILESCSC1(CNC(=O)c2c[nH]ccc2=O)CCC1
InChIInChI=1S/C12H16N2O2S/c1-17-12(4-2-5-12)8-14-11(16)9-7-13-6-3-10(9)15/h3,6-7H,2,4-5,8H2,1H3,(H,13,15)(H,14,16)
InChIKeyKMFTVUCUZNDDSC-UHFFFAOYSA-N
XLogP1.39
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylsulfanylcyclopentyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 114117445
2-fluoro-N-[(1-methylsulfanylcyclohexyl)methyl]benzamide
CID 114115942
1-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]naphthalene-2-carboxamide
CID 107299334
2-amino-3-fluoro-N-[(1-methylsulfanylcyclobutyl)methyl]benzamide
CID 114116099
N-[(1-methylsulfanylcyclobutyl)methyl]-1H-indole-5-carboxamide
CID 107271586
4-(chloromethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]benzamide
CID 114115852
3-bromo-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide
CID 107271664
5-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-2-carboxamide
CID 107271657
2-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]-5-nitrobenzamide
CID 107271630
4-(bromomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]benzamide
CID 114115857
6-methyl-5-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 146108167
5-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]furan-3-carboxylic acid
CID 114117425

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfanylcyclobutyl)methyl]-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(1-methylsulfanylcyclobutyl)methyl]-4-oxo-1H-pyridine-3-carboxamide (CID 114117442) is N-[(1-methylsulfanylcyclobutyl)methyl]-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(1-methylsulfanylcyclobutyl)methyl]-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(1-methylsulfanylcyclobutyl)methyl]-4-oxo-1H-pyridine-3-carboxamide is CSC1(CNC(=O)c2c[nH]ccc2=O)CCC1.
What is the InChIKey of N-[(1-methylsulfanylcyclobutyl)methyl]-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is KMFTVUCUZNDDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-17-12(4-2-5-12)8-14-11(16)9-7-13-6-3-10(9)15/h3,6-7H,2,4-5,8H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-[(1-methylsulfanylcyclobutyl)methyl]-4-oxo-1H-pyridine-3-carboxamide?
N-[(1-methylsulfanylcyclobutyl)methyl]-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 252.34 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfanylcyclobutyl)methyl]-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 114117442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).