2-(methylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide

C12H17N3OS — CID 80586098

IUPAC2-(methylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCC2CCCS2)ccn1
InChIInChI=1S/C12H17N3OS/c1-13-11-7-9(4-5-14-11)12(16)15-8-10-3-2-6-17-10/h4-5,7,10H,2-3,6,8H2,1H3,(H,13,14)(H,15,16)
InChIKeyAYKIOSZWFKOFDM-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.75
Rot. Bonds4

About 2-(methylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide

2-(methylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 80586098) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-(methylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(methylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide
PubChem CID80586098
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name2-(methylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCC2CCCS2)ccn1
InChIInChI=1S/C12H17N3OS/c1-13-11-7-9(4-5-14-11)12(16)15-8-10-3-2-6-17-10/h4-5,7,10H,2-3,6,8H2,1H3,(H,13,14)(H,15,16)
InChIKeyAYKIOSZWFKOFDM-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

2-(thiolan-2-ylmethylamino)pyridine-4-carboxylic acid
CID 80585485
5-(methylamino)-N-(thiolan-2-ylmethyl)pyridine-2-carboxamide
CID 113436225
5-methyl-2-(methylamino)-N-(thiolan-2-ylmethyl)benzamide
CID 80586242
N-[2-(carbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 83115078
6-(methylamino)-N-(thian-2-ylmethyl)pyridine-2-carboxamide
CID 80612377
2-chloro-6-(ethylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide
CID 80586203
3,5-difluoro-4-(methylamino)-N-(thian-2-ylmethyl)benzamide
CID 80612937
4-amino-3-chloro-N-(thiolan-2-ylmethyl)benzamide
CID 80584689
N-(2-cyclohexyloxyethyl)-2-(methylamino)pyridine-4-carboxamide
CID 63834324
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-(methylamino)pyridine-4-carboxamide
CID 79071043
3-amino-N-(thian-2-ylmethyl)benzamide
CID 80594846
2-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 55042664

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(methylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide (CID 80586098) is 2-(methylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(methylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(methylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide is CNc1cc(C(=O)NCC2CCCS2)ccn1.
What is the InChIKey of 2-(methylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is AYKIOSZWFKOFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-13-11-7-9(4-5-14-11)12(16)15-8-10-3-2-6-17-10/h4-5,7,10H,2-3,6,8H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-(methylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide?
2-(methylamino)-N-(thiolan-2-ylmethyl)pyridine-4-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 2-(methylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 80586098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).