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

C25H27N3O3S — CID 156907475

IUPACN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc2cccn2c(C(C)OCc2ccsc2)c1C
InChIInChI=1S/C25H27N3O3S/c1-15-10-16(2)27-25(30)22(15)12-26-24(29)21-11-20-6-5-8-28(20)23(17(21)3)18(4)31-13-19-7-9-32-14-19/h5-11,14,18,22H,12-13H2,1-4H3,(H,26,29)
InChIKeyDYPZIFZZIAMADZ-UHFFFAOYSA-N
MW449.58 g/mol
LogP4.88
Rot. Bonds7

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

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxamide (PubChem CID 156907475) 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-3-ylmethoxy)ethyl]indolizine-7-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxamide
PubChem CID156907475
Molecular FormulaC25H27N3O3S
Molecular Weight449.58 g/mol
Exact Mass449.18
IUPAC NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc2cccn2c(C(C)OCc2ccsc2)c1C
InChIInChI=1S/C25H27N3O3S/c1-15-10-16(2)27-25(30)22(15)12-26-24(29)21-11-20-6-5-8-28(20)23(17(21)3)18(4)31-13-19-7-9-32-14-19/h5-11,14,18,22H,12-13H2,1-4H3,(H,26,29)
InChIKeyDYPZIFZZIAMADZ-UHFFFAOYSA-N
XLogP4.88
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-3-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-3-ylmethoxy)ethyl]indolizine-7-carboxamide (CID 156907475) is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(thiophen-3-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-3-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-3-ylmethoxy)ethyl]indolizine-7-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1cc2cccn2c(C(C)OCc2ccsc2)c1C.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(thiophen-3-ylmethoxy)ethyl]indolizine-7-carboxamide?
The InChIKey is DYPZIFZZIAMADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3S/c1-15-10-16(2)27-25(30)22(15)12-26-24(29)21-11-20-6-5-8-28(20)23(17(21)3)18(4)31-13-19-7-9-32-14-19/h5-11,14,18,22H,12-13H2,1-4H3,(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-3-ylmethoxy)ethyl]indolizine-7-carboxamide?
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(thiophen-3-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-3-ylmethoxy)ethyl]indolizine-7-carboxamide is sourced from PubChem (CID 156907475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).