N-methyl-2-methylsulfanyl-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide

C16H19N3OS — CID 56749566

IUPACN-methyl-2-methylsulfanyl-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)N(C)C(C)Cc1ccccn1
InChIInChI=1S/C16H19N3OS/c1-12(11-13-7-4-5-9-17-13)19(2)16(20)14-8-6-10-18-15(14)21-3/h4-10,12H,11H2,1-3H3
InChIKeyMXNKOVLISQYAFZ-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.90
Rot. Bonds5

About N-methyl-2-methylsulfanyl-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide

N-methyl-2-methylsulfanyl-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide (PubChem CID 56749566) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is N-methyl-2-methylsulfanyl-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-methylsulfanyl-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide
PubChem CID56749566
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC NameN-methyl-2-methylsulfanyl-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)N(C)C(C)Cc1ccccn1
InChIInChI=1S/C16H19N3OS/c1-12(11-13-7-4-5-9-17-13)19(2)16(20)14-8-6-10-18-15(14)21-3/h4-10,12H,11H2,1-3H3
InChIKeyMXNKOVLISQYAFZ-UHFFFAOYSA-N
XLogP2.90
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfanyl-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-methyl-2-methylsulfanyl-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide (CID 56749566) is N-methyl-2-methylsulfanyl-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-2-methylsulfanyl-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-methyl-2-methylsulfanyl-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide is CSc1ncccc1C(=O)N(C)C(C)Cc1ccccn1.
What is the InChIKey of N-methyl-2-methylsulfanyl-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide?
The InChIKey is MXNKOVLISQYAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-12(11-13-7-4-5-9-17-13)19(2)16(20)14-8-6-10-18-15(14)21-3/h4-10,12H,11H2,1-3H3.
What are the key properties of N-methyl-2-methylsulfanyl-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide?
N-methyl-2-methylsulfanyl-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide has a molecular weight of 301.42 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfanyl-N-(1-pyridin-2-ylpropan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 56749566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).