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

C14H21N3OS — CID 81246023

IUPAC6-methyl-4-(methylamino)-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-carboxamide
SMILESCNc1cc(C)ncc1C(=O)NCC1(C)CCCS1
InChIInChI=1S/C14H21N3OS/c1-10-7-12(15-3)11(8-16-10)13(18)17-9-14(2)5-4-6-19-14/h7-8H,4-6,9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyBXEYYGHYWPBHPI-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.45
Rot. Bonds4

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

6-methyl-4-(methylamino)-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 81246023) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 6-methyl-4-(methylamino)-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-(methylamino)-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-carboxamide
PubChem CID81246023
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name6-methyl-4-(methylamino)-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-carboxamide
SMILESCNc1cc(C)ncc1C(=O)NCC1(C)CCCS1
InChIInChI=1S/C14H21N3OS/c1-10-7-12(15-3)11(8-16-10)13(18)17-9-14(2)5-4-6-19-14/h7-8H,4-6,9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyBXEYYGHYWPBHPI-UHFFFAOYSA-N
XLogP2.45
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(methylamino)-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-4-(methylamino)-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-carboxamide (CID 81246023) is 6-methyl-4-(methylamino)-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-(methylamino)-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-4-(methylamino)-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-carboxamide is CNc1cc(C)ncc1C(=O)NCC1(C)CCCS1.
What is the InChIKey of 6-methyl-4-(methylamino)-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is BXEYYGHYWPBHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-10-7-12(15-3)11(8-16-10)13(18)17-9-14(2)5-4-6-19-14/h7-8H,4-6,9H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 6-methyl-4-(methylamino)-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-carboxamide?
6-methyl-4-(methylamino)-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 279.41 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(methylamino)-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 81246023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).