4-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-2-carboxamide

C11H17N3OS — CID 63965708

IUPAC4-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-2-carboxamide
SMILESCSCC(C)CNc1ccnc(C(N)=O)c1
InChIInChI=1S/C11H17N3OS/c1-8(7-16-2)6-14-9-3-4-13-10(5-9)11(12)15/h3-5,8H,6-7H2,1-2H3,(H2,12,15)(H,13,14)
InChIKeyNAOPBJUFUNNPIJ-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.59
Rot. Bonds6

About 4-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-2-carboxamide

4-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-2-carboxamide (PubChem CID 63965708) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 4-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-2-carboxamide
PubChem CID63965708
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name4-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-2-carboxamide
SMILESCSCC(C)CNc1ccnc(C(N)=O)c1
InChIInChI=1S/C11H17N3OS/c1-8(7-16-2)6-14-9-3-4-13-10(5-9)11(12)15/h3-5,8H,6-7H2,1-2H3,(H2,12,15)(H,13,14)
InChIKeyNAOPBJUFUNNPIJ-UHFFFAOYSA-N
XLogP1.59
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,2-diphenylethylamino)pyridine-2-carboxamide
CID 133313862
4-[(3-amino-2,2-dimethylpropyl)amino]pyridine-2-carboxamide
CID 115366128
N,N-diethyl-4-(2-methylbutylamino)pyridine-2-carboxamide
CID 62693747
4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyridine-2,4-diamine
CID 113367858
N,N-diethyl-4-[[2-methyl-3-(methylamino)propyl]amino]pyridine-2-carboxamide
CID 115303183
4-[2-(carbamoylamino)ethylamino]pyridine-2-carboxamide
CID 83113933
methyl 3-[(2-carbamoyl-4-pyridinyl)amino]propanoate
CID 60926082
4-(2-hydroxypropylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43395771
N,N-dimethyl-4-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carboxamide
CID 62992312
5-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2,5-diamine
CID 63982053
4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-2-carboxylic acid
CID 102906568
2-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid
CID 63960049

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-2-carboxamide?
The IUPAC name of 4-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-2-carboxamide (CID 63965708) is 4-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-2-carboxamide?
The canonical SMILES for 4-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-2-carboxamide is CSCC(C)CNc1ccnc(C(N)=O)c1.
What is the InChIKey of 4-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-2-carboxamide?
The InChIKey is NAOPBJUFUNNPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8(7-16-2)6-14-9-3-4-13-10(5-9)11(12)15/h3-5,8H,6-7H2,1-2H3,(H2,12,15)(H,13,14).
What are the key properties of 4-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-2-carboxamide?
4-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-2-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 63965708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).