4-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-3-carboxamide

C15H19N3OS — CID 81245260

IUPAC4-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)NCC(C)(C)c1cccs1
InChIInChI=1S/C15H19N3OS/c1-15(2,13-5-4-8-20-13)10-18-14(19)11-9-17-7-6-12(11)16-3/h4-9H,10H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyJZTDCOWUNMWZKF-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.89
Rot. Bonds5

About 4-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-3-carboxamide

4-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-3-carboxamide (PubChem CID 81245260) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-3-carboxamide
PubChem CID81245260
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name4-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)NCC(C)(C)c1cccs1
InChIInChI=1S/C15H19N3OS/c1-15(2,13-5-4-8-20-13)10-18-14(19)11-9-17-7-6-12(11)16-3/h4-9H,10H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyJZTDCOWUNMWZKF-UHFFFAOYSA-N
XLogP2.89
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-3-carboxamide?
The IUPAC name of 4-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-3-carboxamide (CID 81245260) is 4-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 4-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-3-carboxamide is CNc1ccncc1C(=O)NCC(C)(C)c1cccs1.
What is the InChIKey of 4-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-3-carboxamide?
The InChIKey is JZTDCOWUNMWZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-15(2,13-5-4-8-20-13)10-18-14(19)11-9-17-7-6-12(11)16-3/h4-9H,10H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 4-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-3-carboxamide?
4-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-3-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 81245260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).