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

C24H26N4O3S — CID 156907474

IUPACN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc2cccn2c(C(C)OCc2nccs2)c1C
InChIInChI=1S/C24H26N4O3S/c1-14-10-15(2)27-24(30)20(14)12-26-23(29)19-11-18-6-5-8-28(18)22(16(19)3)17(4)31-13-21-25-7-9-32-21/h5-11,17,20H,12-13H2,1-4H3,(H,26,29)
InChIKeyHKHQRRBSPHVGAC-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.28
Rot. Bonds7

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

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide (PubChem CID 156907474) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide
PubChem CID156907474
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc2cccn2c(C(C)OCc2nccs2)c1C
InChIInChI=1S/C24H26N4O3S/c1-14-10-15(2)27-24(30)20(14)12-26-23(29)19-11-18-6-5-8-28(18)22(16(19)3)17(4)31-13-21-25-7-9-32-21/h5-11,17,20H,12-13H2,1-4H3,(H,26,29)
InChIKeyHKHQRRBSPHVGAC-UHFFFAOYSA-N
XLogP4.28
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(1,3-thiazol-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-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide (CID 156907474) is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(1,3-thiazol-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-(1,3-thiazol-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-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1cc2cccn2c(C(C)OCc2nccs2)c1C.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide?
The InChIKey is HKHQRRBSPHVGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-14-10-15(2)27-24(30)20(14)12-26-23(29)19-11-18-6-5-8-28(18)22(16(19)3)17(4)31-13-21-25-7-9-32-21/h5-11,17,20H,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-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide?
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide has a molecular weight of 450.56 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 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-(1,3-thiazol-2-ylmethoxy)ethyl]indolizine-7-carboxamide is sourced from PubChem (CID 156907474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).