5-(methylamino)-N-(thiolan-2-ylmethyl)pyridine-2-carboxamide

C12H17N3OS — CID 113436225

IUPAC5-(methylamino)-N-(thiolan-2-ylmethyl)pyridine-2-carboxamide
SMILESCNc1ccc(C(=O)NCC2CCCS2)nc1
InChIInChI=1S/C12H17N3OS/c1-13-9-4-5-11(14-7-9)12(16)15-8-10-3-2-6-17-10/h4-5,7,10,13H,2-3,6,8H2,1H3,(H,15,16)
InChIKeyCVDHIBKPDFLQBK-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.75
Rot. Bonds4

About 5-(methylamino)-N-(thiolan-2-ylmethyl)pyridine-2-carboxamide

5-(methylamino)-N-(thiolan-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 113436225) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 5-(methylamino)-N-(thiolan-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-N-(thiolan-2-ylmethyl)pyridine-2-carboxamide
PubChem CID113436225
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name5-(methylamino)-N-(thiolan-2-ylmethyl)pyridine-2-carboxamide
SMILESCNc1ccc(C(=O)NCC2CCCS2)nc1
InChIInChI=1S/C12H17N3OS/c1-13-9-4-5-11(14-7-9)12(16)15-8-10-3-2-6-17-10/h4-5,7,10,13H,2-3,6,8H2,1H3,(H,15,16)
InChIKeyCVDHIBKPDFLQBK-UHFFFAOYSA-N
XLogP1.75
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-3-[6-(thiolan-2-ylmethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid
CID 80586037
5-(3-hydroxyprop-1-ynyl)-N-(thian-2-ylmethyl)pyridine-2-carboxamide
CID 80612844
2-(methylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide
CID 80586098
6-(methylamino)-N-(thian-2-ylmethyl)pyridine-2-carboxamide
CID 80612377
5-chloro-2-propan-2-yl-N-[[(2R)-thiolan-2-yl]methyl]pyrimidine-4-carboxamide
CID 97085857
5-(methylamino)-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide
CID 104641171
6-amino-N-(thiolan-2-ylmethyl)pyridine-2-carboxamide
CID 80586141
4-chloro-N-(thiolan-2-ylmethyl)pyridine-3-carboxamide
CID 81233110
6-hydrazinyl-N-(thian-2-ylmethyl)pyridazine-3-carboxamide
CID 80612211
5-methyl-2-(methylamino)-N-(thiolan-2-ylmethyl)benzamide
CID 80586242
5-(methylamino)-N-[2-(oxan-2-yl)ethyl]pyridine-2-carboxamide
CID 106000609
N-(dicyclopropylmethyl)-5-(methylamino)pyridine-2-carboxamide
CID 113436148

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-(thiolan-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-(methylamino)-N-(thiolan-2-ylmethyl)pyridine-2-carboxamide (CID 113436225) is 5-(methylamino)-N-(thiolan-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(methylamino)-N-(thiolan-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(methylamino)-N-(thiolan-2-ylmethyl)pyridine-2-carboxamide is CNc1ccc(C(=O)NCC2CCCS2)nc1.
What is the InChIKey of 5-(methylamino)-N-(thiolan-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is CVDHIBKPDFLQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-13-9-4-5-11(14-7-9)12(16)15-8-10-3-2-6-17-10/h4-5,7,10,13H,2-3,6,8H2,1H3,(H,15,16).
What are the key properties of 5-(methylamino)-N-(thiolan-2-ylmethyl)pyridine-2-carboxamide?
5-(methylamino)-N-(thiolan-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 251.35 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-(thiolan-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 113436225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).