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

C24H31N3O3 — CID 156907462

IUPACN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(2-methylpropoxy)ethyl]indolizine-7-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc2cccn2c(C(C)OCC(C)C)c1C
InChIInChI=1S/C24H31N3O3/c1-14(2)13-30-18(6)22-17(5)20(11-19-8-7-9-27(19)22)23(28)25-12-21-15(3)10-16(4)26-24(21)29/h7-11,14,18,21H,12-13H2,1-6H3,(H,25,28)
InChIKeyVTOXREDQLOCZLX-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.27
Rot. Bonds7

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

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(2-methylpropoxy)ethyl]indolizine-7-carboxamide (PubChem CID 156907462) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(2-methylpropoxy)ethyl]indolizine-7-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(2-methylpropoxy)ethyl]indolizine-7-carboxamide
PubChem CID156907462
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(2-methylpropoxy)ethyl]indolizine-7-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc2cccn2c(C(C)OCC(C)C)c1C
InChIInChI=1S/C24H31N3O3/c1-14(2)13-30-18(6)22-17(5)20(11-19-8-7-9-27(19)22)23(28)25-12-21-15(3)10-16(4)26-24(21)29/h7-11,14,18,21H,12-13H2,1-6H3,(H,25,28)
InChIKeyVTOXREDQLOCZLX-UHFFFAOYSA-N
XLogP4.27
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(2-methylpropoxy)ethyl]indolizine-7-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(2-methylpropoxy)ethyl]indolizine-7-carboxamide (CID 156907462) is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(2-methylpropoxy)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-(2-methylpropoxy)ethyl]indolizine-7-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(2-methylpropoxy)ethyl]indolizine-7-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1cc2cccn2c(C(C)OCC(C)C)c1C.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(2-methylpropoxy)ethyl]indolizine-7-carboxamide?
The InChIKey is VTOXREDQLOCZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-14(2)13-30-18(6)22-17(5)20(11-19-8-7-9-27(19)22)23(28)25-12-21-15(3)10-16(4)26-24(21)29/h7-11,14,18,21H,12-13H2,1-6H3,(H,25,28).
What are the key properties of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(2-methylpropoxy)ethyl]indolizine-7-carboxamide?
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(2-methylpropoxy)ethyl]indolizine-7-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 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-(2-methylpropoxy)ethyl]indolizine-7-carboxamide is sourced from PubChem (CID 156907462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).