N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-1-phenylcyclopropane-1-carboxamide

C16H16N2O2S — CID 135074126

IUPACN-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-1-phenylcyclopropane-1-carboxamide
SMILESCS(=O)(=NC(=O)C1(c2ccccc2)CC1)c1ccccn1
InChIInChI=1S/C16H16N2O2S/c1-21(20,14-9-5-6-12-17-14)18-15(19)16(10-11-16)13-7-3-2-4-8-13/h2-9,12H,10-11H2,1H3
InChIKeyPYGLBPBWLSUUPN-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.80
Rot. Bonds3

About N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-1-phenylcyclopropane-1-carboxamide

N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-1-phenylcyclopropane-1-carboxamide (PubChem CID 135074126) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-1-phenylcyclopropane-1-carboxamide
PubChem CID135074126
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-1-phenylcyclopropane-1-carboxamide
SMILESCS(=O)(=NC(=O)C1(c2ccccc2)CC1)c1ccccn1
InChIInChI=1S/C16H16N2O2S/c1-21(20,14-9-5-6-12-17-14)18-15(19)16(10-11-16)13-7-3-2-4-8-13/h2-9,12H,10-11H2,1H3
InChIKeyPYGLBPBWLSUUPN-UHFFFAOYSA-N
XLogP2.80
TPSA59.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-1-phenylcyclopropane-1-carboxamide (CID 135074126) is N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-1-phenylcyclopropane-1-carboxamide is CS(=O)(=NC(=O)C1(c2ccccc2)CC1)c1ccccn1.
What is the InChIKey of N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-1-phenylcyclopropane-1-carboxamide?
The InChIKey is PYGLBPBWLSUUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-21(20,14-9-5-6-12-17-14)18-15(19)16(10-11-16)13-7-3-2-4-8-13/h2-9,12H,10-11H2,1H3.
What are the key properties of N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-1-phenylcyclopropane-1-carboxamide?
N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-1-phenylcyclopropane-1-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 135074126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).