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

C25H27N3O3S — CID 134340429

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(thiophen-2-ylmethoxy)ethyl]indolizine-7-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc3cccn3c(C(C)OCc3cccs3)c2C)c(=O)[nH]1
InChIInChI=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/h5-12,18H,13-14H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyGIJISLXRHAETEW-UHFFFAOYSA-N
MW449.58 g/mol
LogP4.82
Rot. Bonds7

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

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(thiophen-2-ylmethoxy)ethyl]indolizine-7-carboxamide (PubChem CID 134340429) has the molecular formula C25H27N3O3S and a molecular weight of 449.58 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(thiophen-2-ylmethoxy)ethyl]indolizine-7-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(thiophen-2-ylmethoxy)ethyl]indolizine-7-carboxamide
PubChem CID134340429
Molecular FormulaC25H27N3O3S
Molecular Weight449.58 g/mol
Exact Mass449.18
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(thiophen-2-ylmethoxy)ethyl]indolizine-7-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc3cccn3c(C(C)OCc3cccs3)c2C)c(=O)[nH]1
InChIInChI=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/h5-12,18H,13-14H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyGIJISLXRHAETEW-UHFFFAOYSA-N
XLogP4.82
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-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-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(thiophen-2-ylmethoxy)ethyl]indolizine-7-carboxamide (CID 134340429) is N-[(4,6-dimethyl-2-oxo-1H-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-1H-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-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(thiophen-2-ylmethoxy)ethyl]indolizine-7-carboxamide is Cc1cc(C)c(CNC(=O)c2cc3cccn3c(C(C)OCc3cccs3)c2C)c(=O)[nH]1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(thiophen-2-ylmethoxy)ethyl]indolizine-7-carboxamide?
The InChIKey is GIJISLXRHAETEW-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/h5-12,18H,13-14H2,1-4H3,(H,26,29)(H,27,30).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(thiophen-2-ylmethoxy)ethyl]indolizine-7-carboxamide?
N-[(4,6-dimethyl-2-oxo-1H-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 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-(thiophen-2-ylmethoxy)ethyl]indolizine-7-carboxamide is sourced from PubChem (CID 134340429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).