4-amino-6-methyl-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-carboxamide

C13H19N3OS — CID 81245860

IUPAC4-amino-6-methyl-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-carboxamide
SMILESCc1cc(N)c(C(=O)NCC2(C)CCCS2)cn1
InChIInChI=1S/C13H19N3OS/c1-9-6-11(14)10(7-15-9)12(17)16-8-13(2)4-3-5-18-13/h6-7H,3-5,8H2,1-2H3,(H2,14,15)(H,16,17)
InChIKeyLPZFAMUZZUDHAU-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.99
Rot. Bonds3

About 4-amino-6-methyl-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-carboxamide

4-amino-6-methyl-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 81245860) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 4-amino-6-methyl-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-6-methyl-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-carboxamide
PubChem CID81245860
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name4-amino-6-methyl-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-carboxamide
SMILESCc1cc(N)c(C(=O)NCC2(C)CCCS2)cn1
InChIInChI=1S/C13H19N3OS/c1-9-6-11(14)10(7-15-9)12(17)16-8-13(2)4-3-5-18-13/h6-7H,3-5,8H2,1-2H3,(H2,14,15)(H,16,17)
InChIKeyLPZFAMUZZUDHAU-UHFFFAOYSA-N
XLogP1.99
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-4-(methylamino)-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-carboxamide
CID 81246023
2-amino-5-methyl-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80726929
2-amino-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80725565
4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-methylpyridine-3-carboxamide
CID 83115454
4-amino-N-[(1-ethylcyclopropyl)methyl]-6-methylpyridine-3-carboxamide
CID 114101892
4-amino-N-[(1-cyclopropylcyclopropyl)methyl]-6-methylpyridine-3-carboxamide
CID 114096808
2-amino-6-methyl-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80726810
4-amino-3-bromo-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80737207
6-amino-N-[(2-methylthiolan-2-yl)methyl]pyrazine-2-carboxamide
CID 114036016
6-methyl-N-[(2-methylthiolan-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103757770
2-amino-N-[(2-methylthiolan-2-yl)methyl]quinoline-4-carboxamide
CID 80743131
2,4-dihydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 103759085

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyl-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 4-amino-6-methyl-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-carboxamide (CID 81245860) is 4-amino-6-methyl-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-amino-6-methyl-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 4-amino-6-methyl-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-carboxamide is Cc1cc(N)c(C(=O)NCC2(C)CCCS2)cn1.
What is the InChIKey of 4-amino-6-methyl-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is LPZFAMUZZUDHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-9-6-11(14)10(7-15-9)12(17)16-8-13(2)4-3-5-18-13/h6-7H,3-5,8H2,1-2H3,(H2,14,15)(H,16,17).
What are the key properties of 4-amino-6-methyl-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-carboxamide?
4-amino-6-methyl-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 265.38 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyl-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 81245860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).