6-(methylamino)-N-(thian-2-ylmethyl)pyridine-2-carboxamide

C13H19N3OS — CID 80612377

IUPAC6-(methylamino)-N-(thian-2-ylmethyl)pyridine-2-carboxamide
SMILESCNc1cccc(C(=O)NCC2CCCCS2)n1
InChIInChI=1S/C13H19N3OS/c1-14-12-7-4-6-11(16-12)13(17)15-9-10-5-2-3-8-18-10/h4,6-7,10H,2-3,5,8-9H2,1H3,(H,14,16)(H,15,17)
InChIKeyXEULPDYYDZRUAI-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.14
Rot. Bonds4

About 6-(methylamino)-N-(thian-2-ylmethyl)pyridine-2-carboxamide

6-(methylamino)-N-(thian-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 80612377) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 6-(methylamino)-N-(thian-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(methylamino)-N-(thian-2-ylmethyl)pyridine-2-carboxamide
PubChem CID80612377
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name6-(methylamino)-N-(thian-2-ylmethyl)pyridine-2-carboxamide
SMILESCNc1cccc(C(=O)NCC2CCCCS2)n1
InChIInChI=1S/C13H19N3OS/c1-14-12-7-4-6-11(16-12)13(17)15-9-10-5-2-3-8-18-10/h4,6-7,10H,2-3,5,8-9H2,1H3,(H,14,16)(H,15,17)
InChIKeyXEULPDYYDZRUAI-UHFFFAOYSA-N
XLogP2.14
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-N-(thiolan-2-ylmethyl)pyridine-2-carboxamide
CID 80586141
6-hydrazinyl-N-(thian-2-ylmethyl)pyridazine-3-carboxamide
CID 80612211
5-(methylamino)-N-(thiolan-2-ylmethyl)pyridine-2-carboxamide
CID 113436225
2-(methylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide
CID 80586098
2-fluoro-3-methyl-N-(thian-2-ylmethyl)benzamide
CID 81482286
3-amino-N-(thian-2-ylmethyl)benzamide
CID 80594846
2-iodo-N-(thian-2-ylmethyl)benzamide
CID 80600117
2,6-dichloro-N-(thian-2-ylmethyl)pyridine-4-carboxamide
CID 80600468
3,5-difluoro-4-(methylamino)-N-(thian-2-ylmethyl)benzamide
CID 80612937
2-(propan-2-ylamino)-N-(thian-2-ylmethyl)benzamide
CID 80612321
6-(methylamino)-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 62308602
6-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 62240294

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-N-(thian-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 6-(methylamino)-N-(thian-2-ylmethyl)pyridine-2-carboxamide (CID 80612377) is 6-(methylamino)-N-(thian-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(methylamino)-N-(thian-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(methylamino)-N-(thian-2-ylmethyl)pyridine-2-carboxamide is CNc1cccc(C(=O)NCC2CCCCS2)n1.
What is the InChIKey of 6-(methylamino)-N-(thian-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is XEULPDYYDZRUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-14-12-7-4-6-11(16-12)13(17)15-9-10-5-2-3-8-18-10/h4,6-7,10H,2-3,5,8-9H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 6-(methylamino)-N-(thian-2-ylmethyl)pyridine-2-carboxamide?
6-(methylamino)-N-(thian-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 265.38 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-N-(thian-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 80612377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).