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

C21H25N3O3 — CID 156907457

IUPACN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-(1-methoxyethyl)-6-methylindolizine-7-carboxamide
SMILESCOC(C)c1c(C)c(C(=O)NCC2C(=O)N=C(C)C=C2C)cc2cccn12
InChIInChI=1S/C21H25N3O3/c1-12-9-13(2)23-21(26)18(12)11-22-20(25)17-10-16-7-6-8-24(16)19(14(17)3)15(4)27-5/h6-10,15,18H,11H2,1-5H3,(H,22,25)
InChIKeyDGTDGEXVXZGUOC-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.25
Rot. Bonds5

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

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-(1-methoxyethyl)-6-methylindolizine-7-carboxamide (PubChem CID 156907457) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-(1-methoxyethyl)-6-methylindolizine-7-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-(1-methoxyethyl)-6-methylindolizine-7-carboxamide
PubChem CID156907457
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-(1-methoxyethyl)-6-methylindolizine-7-carboxamide
SMILESCOC(C)c1c(C)c(C(=O)NCC2C(=O)N=C(C)C=C2C)cc2cccn12
InChIInChI=1S/C21H25N3O3/c1-12-9-13(2)23-21(26)18(12)11-22-20(25)17-10-16-7-6-8-24(16)19(14(17)3)15(4)27-5/h6-10,15,18H,11H2,1-5H3,(H,22,25)
InChIKeyDGTDGEXVXZGUOC-UHFFFAOYSA-N
XLogP3.25
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.25
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]-5-(1-methoxyethyl)-6-methylindolizine-7-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-(1-methoxyethyl)-6-methylindolizine-7-carboxamide (CID 156907457) is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-(1-methoxyethyl)-6-methylindolizine-7-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-(1-methoxyethyl)-6-methylindolizine-7-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-(1-methoxyethyl)-6-methylindolizine-7-carboxamide is COC(C)c1c(C)c(C(=O)NCC2C(=O)N=C(C)C=C2C)cc2cccn12.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-(1-methoxyethyl)-6-methylindolizine-7-carboxamide?
The InChIKey is DGTDGEXVXZGUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-12-9-13(2)23-21(26)18(12)11-22-20(25)17-10-16-7-6-8-24(16)19(14(17)3)15(4)27-5/h6-10,15,18H,11H2,1-5H3,(H,22,25).
What are the key properties of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-(1-methoxyethyl)-6-methylindolizine-7-carboxamide?
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-(1-methoxyethyl)-6-methylindolizine-7-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.25, 5 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]-5-(1-methoxyethyl)-6-methylindolizine-7-carboxamide is sourced from PubChem (CID 156907457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).