N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-3-carboxamide

C19H27N5OS — CID 45244073

About N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-3-carboxamide

N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-3-carboxamide (PubChem CID 45244073) has the molecular formula C19H27N5OS and a molecular weight of 373.53 g/mol. Its IUPAC name is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-3-carboxamide
• PubChem CID: 45244073
• Molecular Formula: C19H27N5OS
• Molecular Weight: 373.53 g/mol
• Exact Mass: 373.19
• IUPAC Name: N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-3-carboxamide
• SMILES: CCc1csc(CNC(=O)c2ccc(N(C)CC3CCCN3C)nc2)n1
• InChI: InChI=1S/C19H27N5OS/c1-4-15-13-26-18(22-15)11-21-19(25)14-7-8-17(20-10-14)24(3)12-16-6-5-9-23(16)2/h7-8,10,13,16H,4-6,9,11-12H2,1-3H3,(H,21,25)
• InChIKey: WKZVJFAPOBGEJZ-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 61.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.53
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-3-carboxamide?

The IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-3-carboxamide (CID 45244073) is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-3-carboxamide.

What is the SMILES notation for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-3-carboxamide?

The canonical SMILES for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-3-carboxamide is CCc1csc(CNC(=O)c2ccc(N(C)CC3CCCN3C)nc2)n1.

What is the InChIKey of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-3-carboxamide?

The InChIKey is WKZVJFAPOBGEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5OS/c1-4-15-13-26-18(22-15)11-21-19(25)14-7-8-17(20-10-14)24(3)12-16-6-5-9-23(16)2/h7-8,10,13,16H,4-6,9,11-12H2,1-3H3,(H,21,25).

What are the key properties of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-3-carboxamide?

N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-3-carboxamide has a molecular weight of 373.53 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 45244073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).