N-(5-cyano-2-methyl-4-pyridinyl)-N-methoxysulfinylbenzamide

C15H13N3O3S — CID 59939121

IUPACN-(5-cyano-2-methyl-4-pyridinyl)-N-methoxysulfinylbenzamide
SMILESCOS(=O)N(C(=O)c1ccccc1)c1cc(C)ncc1C#N
InChIInChI=1S/C15H13N3O3S/c1-11-8-14(13(9-16)10-17-11)18(22(20)21-2)15(19)12-6-4-3-5-7-12/h3-8,10H,1-2H3
InChIKeyGJQGXJHXQMEFFU-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.13
Rot. Bonds4

About N-(5-cyano-2-methyl-4-pyridinyl)-N-methoxysulfinylbenzamide

N-(5-cyano-2-methyl-4-pyridinyl)-N-methoxysulfinylbenzamide (PubChem CID 59939121) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is N-(5-cyano-2-methyl-4-pyridinyl)-N-methoxysulfinylbenzamide.

Molecular Properties

Compound NameN-(5-cyano-2-methyl-4-pyridinyl)-N-methoxysulfinylbenzamide
PubChem CID59939121
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC NameN-(5-cyano-2-methyl-4-pyridinyl)-N-methoxysulfinylbenzamide
SMILESCOS(=O)N(C(=O)c1ccccc1)c1cc(C)ncc1C#N
InChIInChI=1S/C15H13N3O3S/c1-11-8-14(13(9-16)10-17-11)18(22(20)21-2)15(19)12-6-4-3-5-7-12/h3-8,10H,1-2H3
InChIKeyGJQGXJHXQMEFFU-UHFFFAOYSA-N
XLogP2.13
TPSA83.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-methoxysulfinylbenzamide
CID 59939134
N-(5-carbamothioyl-2-methyl-4-pyridinyl)-4-chloro-N-ethylbenzamide;N-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-ethylacetamide;N-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-ethylbenzamide;N-(5-chloro-2-methyl-4-pyridinyl)-N-ethylacetamide;N-(5-chloro-2-methyl-4-pyridinyl)-N-ethylbenzamide;N-(5-chloro-2-methyl-4-pyridinyl)-N-ethyl-4-methylbenzamide;N-(5-chloro-2-methyl-4-pyridinyl)-2-fluoro-N-methoxysulfinylbenzamide;bis(N-(5-cyano-2-methyl-4-pyridinyl)-N-ethylacetamide);N-(5-cyano-2-methyl-4-pyridinyl)-N-ethylbenzamide;N-(5-cyano-2-methyl-4-pyridinyl)-N-ethyl-4-methylbenzamide
CID 161136238
N-(5-carbamothioyl-2-methyl-4-pyridinyl)-2-fluoro-N-methoxysulfinylbenzamide
CID 59938093
2-[(5-cyano-2-methyl-4-pyridinyl)-methylamino]acetic acid
CID 130806228
4-(diethylamino)-6-methylpyridine-3-carbonitrile
CID 82375941
N-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-methoxysulfinylpropanamide
CID 59939157
6-methyl-4-pyridin-2-ylpyridine-3-carbonitrile
CID 82112135
ethane;4-methoxy-6-methylpyridine-3-carbonitrile
CID 145106388
ethyl 2-(5-cyano-2-methyl-4-pyridinyl)acetate
CID 133097335
(2,5-dimethyl-4-pyridinyl)-phenylmethanone
CID 12954070
ethyl 4-cyano-6-methylpyridine-3-carboxylate
CID 101070953
(5-cyano-4-ethyl-2-pyridinyl)-phenylcarbamic acid
CID 118036198

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-methyl-4-pyridinyl)-N-methoxysulfinylbenzamide?
The IUPAC name of N-(5-cyano-2-methyl-4-pyridinyl)-N-methoxysulfinylbenzamide (CID 59939121) is N-(5-cyano-2-methyl-4-pyridinyl)-N-methoxysulfinylbenzamide.
What is the SMILES notation for N-(5-cyano-2-methyl-4-pyridinyl)-N-methoxysulfinylbenzamide?
The canonical SMILES for N-(5-cyano-2-methyl-4-pyridinyl)-N-methoxysulfinylbenzamide is COS(=O)N(C(=O)c1ccccc1)c1cc(C)ncc1C#N.
What is the InChIKey of N-(5-cyano-2-methyl-4-pyridinyl)-N-methoxysulfinylbenzamide?
The InChIKey is GJQGXJHXQMEFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c1-11-8-14(13(9-16)10-17-11)18(22(20)21-2)15(19)12-6-4-3-5-7-12/h3-8,10H,1-2H3.
What are the key properties of N-(5-cyano-2-methyl-4-pyridinyl)-N-methoxysulfinylbenzamide?
N-(5-cyano-2-methyl-4-pyridinyl)-N-methoxysulfinylbenzamide has a molecular weight of 315.35 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-methyl-4-pyridinyl)-N-methoxysulfinylbenzamide is sourced from PubChem (CID 59939121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).