N-methyl-N-(1-methylsulfanylpropan-2-yl)-6-(propylamino)pyridine-2-carboxamide

C14H23N3OS — CID 112664197

IUPACN-methyl-N-(1-methylsulfanylpropan-2-yl)-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1cccc(C(=O)N(C)C(C)CSC)n1
InChIInChI=1S/C14H23N3OS/c1-5-9-15-13-8-6-7-12(16-13)14(18)17(3)11(2)10-19-4/h6-8,11H,5,9-10H2,1-4H3,(H,15,16)
InChIKeyWYAUCUADGDEYJG-UHFFFAOYSA-N
MW281.43 g/mol
LogP2.73
Rot. Bonds7

About N-methyl-N-(1-methylsulfanylpropan-2-yl)-6-(propylamino)pyridine-2-carboxamide

N-methyl-N-(1-methylsulfanylpropan-2-yl)-6-(propylamino)pyridine-2-carboxamide (PubChem CID 112664197) has the molecular formula C14H23N3OS and a molecular weight of 281.43 g/mol. Its IUPAC name is N-methyl-N-(1-methylsulfanylpropan-2-yl)-6-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylsulfanylpropan-2-yl)-6-(propylamino)pyridine-2-carboxamide
PubChem CID112664197
Molecular FormulaC14H23N3OS
Molecular Weight281.43 g/mol
Exact Mass281.16
IUPAC NameN-methyl-N-(1-methylsulfanylpropan-2-yl)-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1cccc(C(=O)N(C)C(C)CSC)n1
InChIInChI=1S/C14H23N3OS/c1-5-9-15-13-8-6-7-12(16-13)14(18)17(3)11(2)10-19-4/h6-8,11H,5,9-10H2,1-4H3,(H,15,16)
InChIKeyWYAUCUADGDEYJG-UHFFFAOYSA-N
XLogP2.73
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-pentan-2-yl-6-(propylamino)pyridine-2-carboxamide
CID 55052478
N-methyl-N-(4-methylpentan-2-yl)-6-(propylamino)pyridine-2-carboxamide
CID 62238841
6-hydrazinyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide
CID 112664427
N-(1-cyanopropan-2-yl)-N-methyl-6-(propylamino)pyridine-2-carboxamide
CID 55173969
6-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide
CID 112692061
N-propan-2-yl-6-(propylamino)pyridine-2-carboxamide
CID 62240109
N-(3-methyl-2-propan-2-ylbutyl)-6-(propylamino)pyridine-2-carboxamide
CID 102907982
N-butan-2-yl-6-(propylamino)pyridine-2-carboxamide
CID 62241135
5-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-(propylamino)pyridine-4-carboxamide
CID 114924378
N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-(propylamino)pyridine-3-carboxamide
CID 112664221
N-(cyclobutylmethyl)-N-methyl-6-(propylamino)pyridine-2-carboxamide
CID 62856982
N-[2-(ethylamino)-2-oxoethyl]-6-(propylamino)pyridine-2-carboxamide
CID 55052141

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylsulfanylpropan-2-yl)-6-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-methyl-N-(1-methylsulfanylpropan-2-yl)-6-(propylamino)pyridine-2-carboxamide (CID 112664197) is N-methyl-N-(1-methylsulfanylpropan-2-yl)-6-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-N-(1-methylsulfanylpropan-2-yl)-6-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-methyl-N-(1-methylsulfanylpropan-2-yl)-6-(propylamino)pyridine-2-carboxamide is CCCNc1cccc(C(=O)N(C)C(C)CSC)n1.
What is the InChIKey of N-methyl-N-(1-methylsulfanylpropan-2-yl)-6-(propylamino)pyridine-2-carboxamide?
The InChIKey is WYAUCUADGDEYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-5-9-15-13-8-6-7-12(16-13)14(18)17(3)11(2)10-19-4/h6-8,11H,5,9-10H2,1-4H3,(H,15,16).
What are the key properties of N-methyl-N-(1-methylsulfanylpropan-2-yl)-6-(propylamino)pyridine-2-carboxamide?
N-methyl-N-(1-methylsulfanylpropan-2-yl)-6-(propylamino)pyridine-2-carboxamide has a molecular weight of 281.43 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylsulfanylpropan-2-yl)-6-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 112664197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).