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

C22H25N3O3 — CID 156907459

IUPACN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-(1-ethenoxyethyl)-6-methylindolizine-7-carboxamide
SMILESC=COC(C)c1c(C)c(C(=O)NCC2C(=O)N=C(C)C=C2C)cc2cccn12
InChIInChI=1S/C22H25N3O3/c1-6-28-16(5)20-15(4)18(11-17-8-7-9-25(17)20)21(26)23-12-19-13(2)10-14(3)24-22(19)27/h6-11,16,19H,1,12H2,2-5H3,(H,23,26)
InChIKeySAPRZILGOLRFCL-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.76
Rot. Bonds6

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

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-(1-ethenoxyethyl)-6-methylindolizine-7-carboxamide (PubChem CID 156907459) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-(1-ethenoxyethyl)-6-methylindolizine-7-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-(1-ethenoxyethyl)-6-methylindolizine-7-carboxamide
PubChem CID156907459
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-(1-ethenoxyethyl)-6-methylindolizine-7-carboxamide
SMILESC=COC(C)c1c(C)c(C(=O)NCC2C(=O)N=C(C)C=C2C)cc2cccn12
InChIInChI=1S/C22H25N3O3/c1-6-28-16(5)20-15(4)18(11-17-8-7-9-25(17)20)21(26)23-12-19-13(2)10-14(3)24-22(19)27/h6-11,16,19H,1,12H2,2-5H3,(H,23,26)
InChIKeySAPRZILGOLRFCL-UHFFFAOYSA-N
XLogP3.76
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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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-ethenoxyethyl)-6-methylindolizine-7-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-(1-ethenoxyethyl)-6-methylindolizine-7-carboxamide (CID 156907459) is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-(1-ethenoxyethyl)-6-methylindolizine-7-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-(1-ethenoxyethyl)-6-methylindolizine-7-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-(1-ethenoxyethyl)-6-methylindolizine-7-carboxamide is C=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-ethenoxyethyl)-6-methylindolizine-7-carboxamide?
The InChIKey is SAPRZILGOLRFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-6-28-16(5)20-15(4)18(11-17-8-7-9-25(17)20)21(26)23-12-19-13(2)10-14(3)24-22(19)27/h6-11,16,19H,1,12H2,2-5H3,(H,23,26).
What are the key properties of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-(1-ethenoxyethyl)-6-methylindolizine-7-carboxamide?
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-(1-ethenoxyethyl)-6-methylindolizine-7-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.76, 6 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-ethenoxyethyl)-6-methylindolizine-7-carboxamide is sourced from PubChem (CID 156907459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).