N-(4-chlorophenyl)-6-methylpyridine-3-carboxamide;methylsulfanylethane;propane

C19H27ClN2OS — CID 143393638

IUPACN-(4-chlorophenyl)-6-methylpyridine-3-carboxamide;methylsulfanylethane;propane
SMILESCCC.CCSC.Cc1ccc(C(=O)Nc2ccc(Cl)cc2)cn1
InChIInChI=1S/C13H11ClN2O.C3H8S.C3H8/c1-9-2-3-10(8-15-9)13(17)16-12-6-4-11(14)5-7-12;1-3-4-2;1-3-2/h2-8H,1H3,(H,16,17);3H2,1-2H3;3H2,1-2H3
InChIKeySUHYPXQBLAENRW-UHFFFAOYSA-N
MW366.96 g/mol
LogP6.08
Rot. Bonds3

About N-(4-chlorophenyl)-6-methylpyridine-3-carboxamide;methylsulfanylethane;propane

N-(4-chlorophenyl)-6-methylpyridine-3-carboxamide;methylsulfanylethane;propane (PubChem CID 143393638) has the molecular formula C19H27ClN2OS and a molecular weight of 366.96 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-methylpyridine-3-carboxamide;methylsulfanylethane;propane.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-methylpyridine-3-carboxamide;methylsulfanylethane;propane
PubChem CID143393638
Molecular FormulaC19H27ClN2OS
Molecular Weight366.96 g/mol
Exact Mass366.15
IUPAC NameN-(4-chlorophenyl)-6-methylpyridine-3-carboxamide;methylsulfanylethane;propane
SMILESCCC.CCSC.Cc1ccc(C(=O)Nc2ccc(Cl)cc2)cn1
InChIInChI=1S/C13H11ClN2O.C3H8S.C3H8/c1-9-2-3-10(8-15-9)13(17)16-12-6-4-11(14)5-7-12;1-3-4-2;1-3-2/h2-8H,1H3,(H,16,17);3H2,1-2H3;3H2,1-2H3
InChIKeySUHYPXQBLAENRW-UHFFFAOYSA-N
XLogP6.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.96
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(ethylaminomethyl)phenyl]-6-methylpyridine-3-carboxamide
CID 106910201
N-[4-(bromomethyl)phenyl]-6-methylpyridine-3-carboxamide
CID 113274656
methyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate
CID 18148097
N-[4-(2-hydroxyethyl)phenyl]-6-methylpyridine-3-carboxamide
CID 51985113
N-(4-chloro-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 18148116
propyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate
CID 51331436
6-methyl-N-[4-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 38477101
N-[4-(2-hydroxyethoxy)phenyl]-6-methylpyridine-3-carboxamide
CID 111113144
N-(2-bromo-5-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 81272102
N-(2-bromo-4-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 81024583
N-(4-amino-3-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 82862313
ethyl 4-[[6-(4-chloroanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163491

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-methylpyridine-3-carboxamide;methylsulfanylethane;propane?
The IUPAC name of N-(4-chlorophenyl)-6-methylpyridine-3-carboxamide;methylsulfanylethane;propane (CID 143393638) is N-(4-chlorophenyl)-6-methylpyridine-3-carboxamide;methylsulfanylethane;propane.
What is the SMILES notation for N-(4-chlorophenyl)-6-methylpyridine-3-carboxamide;methylsulfanylethane;propane?
The canonical SMILES for N-(4-chlorophenyl)-6-methylpyridine-3-carboxamide;methylsulfanylethane;propane is CCC.CCSC.Cc1ccc(C(=O)Nc2ccc(Cl)cc2)cn1.
What is the InChIKey of N-(4-chlorophenyl)-6-methylpyridine-3-carboxamide;methylsulfanylethane;propane?
The InChIKey is SUHYPXQBLAENRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O.C3H8S.C3H8/c1-9-2-3-10(8-15-9)13(17)16-12-6-4-11(14)5-7-12;1-3-4-2;1-3-2/h2-8H,1H3,(H,16,17);3H2,1-2H3;3H2,1-2H3.
What are the key properties of N-(4-chlorophenyl)-6-methylpyridine-3-carboxamide;methylsulfanylethane;propane?
N-(4-chlorophenyl)-6-methylpyridine-3-carboxamide;methylsulfanylethane;propane has a molecular weight of 366.96 g/mol, XLogP of 6.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-methylpyridine-3-carboxamide;methylsulfanylethane;propane is sourced from PubChem (CID 143393638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).