N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(thiophen-2-ylmethoxy)ethyl]indolizine-7-carboxamide

C25H27N3O3S — CID 156907473

About N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(thiophen-2-ylmethoxy)ethyl]indolizine-7-carboxamide

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(thiophen-2-ylmethoxy)ethyl]indolizine-7-carboxamide (PubChem CID 156907473) has the molecular formula C25H27N3O3S and a molecular weight of 449.58 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(thiophen-2-ylmethoxy)ethyl]indolizine-7-carboxamide.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(thiophen-2-ylmethoxy)ethyl]indolizine-7-carboxamide
• PubChem CID: 156907473
• Molecular Formula: C25H27N3O3S
• Molecular Weight: 449.58 g/mol
• Exact Mass: 449.18
• IUPAC Name: N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(thiophen-2-ylmethoxy)ethyl]indolizine-7-carboxamide
• SMILES: CC1=CC(C)=NC(=O)C1CNC(=O)c1cc2cccn2c(C(C)OCc2cccs2)c1C
• InChI: InChI=1S/C25H27N3O3S/c1-15-11-16(2)27-25(30)22(15)13-26-24(29)21-12-19-7-5-9-28(19)23(17(21)3)18(4)31-14-20-8-6-10-32-20/h5-12,18,22H,13-14H2,1-4H3,(H,26,29)
• InChIKey: YNWDVHOBFQGFBR-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 72.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.58
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(thiophen-2-ylmethoxy)ethyl]indolizine-7-carboxamide?

The IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(thiophen-2-ylmethoxy)ethyl]indolizine-7-carboxamide (CID 156907473) is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(thiophen-2-ylmethoxy)ethyl]indolizine-7-carboxamide.

What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(thiophen-2-ylmethoxy)ethyl]indolizine-7-carboxamide?

The canonical SMILES for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(thiophen-2-ylmethoxy)ethyl]indolizine-7-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1cc2cccn2c(C(C)OCc2cccs2)c1C.

What is the InChIKey of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(thiophen-2-ylmethoxy)ethyl]indolizine-7-carboxamide?

The InChIKey is YNWDVHOBFQGFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3S/c1-15-11-16(2)27-25(30)22(15)13-26-24(29)21-12-19-7-5-9-28(19)23(17(21)3)18(4)31-14-20-8-6-10-32-20/h5-12,18,22H,13-14H2,1-4H3,(H,26,29).

What are the key properties of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(thiophen-2-ylmethoxy)ethyl]indolizine-7-carboxamide?

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(thiophen-2-ylmethoxy)ethyl]indolizine-7-carboxamide has a molecular weight of 449.58 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(thiophen-2-ylmethoxy)ethyl]indolizine-7-carboxamide is sourced from PubChem (CID 156907473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).