6-(cyclopropylamino)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-3-carboxamide

C16H20N4OS — CID 94668559

About 6-(cyclopropylamino)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-3-carboxamide

6-(cyclopropylamino)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-3-carboxamide (PubChem CID 94668559) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 6-(cyclopropylamino)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(cyclopropylamino)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-3-carboxamide
• PubChem CID: 94668559
• Molecular Formula: C16H20N4OS
• Molecular Weight: 316.43 g/mol
• Exact Mass: 316.14
• IUPAC Name: 6-(cyclopropylamino)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-3-carboxamide
• SMILES: Cc1nc(C)c([C@H](C)NC(=O)c2ccc(NC3CC3)nc2)s1
• InChI: InChI=1S/C16H20N4OS/c1-9-15(22-11(3)18-9)10(2)19-16(21)12-4-7-14(17-8-12)20-13-5-6-13/h4,7-8,10,13H,5-6H2,1-3H3,(H,17,20)(H,19,21)/t10-/m0/s1
• InChIKey: OYJZYVWPKWISSK-JTQLQIEISA-N
• XLogP: 3.22
• TPSA: 66.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	316.43
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylamino)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-3-carboxamide?

The IUPAC name of 6-(cyclopropylamino)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-3-carboxamide (CID 94668559) is 6-(cyclopropylamino)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-(cyclopropylamino)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-3-carboxamide?

The canonical SMILES for 6-(cyclopropylamino)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-3-carboxamide is Cc1nc(C)c([C@H](C)NC(=O)c2ccc(NC3CC3)nc2)s1.

What is the InChIKey of 6-(cyclopropylamino)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-3-carboxamide?

The InChIKey is OYJZYVWPKWISSK-JTQLQIEISA-N. The full InChI is InChI=1S/C16H20N4OS/c1-9-15(22-11(3)18-9)10(2)19-16(21)12-4-7-14(17-8-12)20-13-5-6-13/h4,7-8,10,13H,5-6H2,1-3H3,(H,17,20)(H,19,21)/t10-/m0/s1.

What are the key properties of 6-(cyclopropylamino)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-3-carboxamide?

6-(cyclopropylamino)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(cyclopropylamino)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 94668559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).