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

C23H25N3O3 — CID 156907460

IUPACN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-prop-2-ynoxyethyl)indolizine-7-carboxamide
SMILESC#CCOC(C)c1c(C)c(C(=O)NCC2C(=O)N=C(C)C=C2C)cc2cccn12
InChIInChI=1S/C23H25N3O3/c1-6-10-29-17(5)21-16(4)19(12-18-8-7-9-26(18)21)22(27)24-13-20-14(2)11-15(3)25-23(20)28/h1,7-9,11-12,17,20H,10,13H2,2-5H3,(H,24,27)
InChIKeyXILKODBMDPAYJG-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.25
Rot. Bonds6

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

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-prop-2-ynoxyethyl)indolizine-7-carboxamide (PubChem CID 156907460) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-prop-2-ynoxyethyl)indolizine-7-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-prop-2-ynoxyethyl)indolizine-7-carboxamide
PubChem CID156907460
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-prop-2-ynoxyethyl)indolizine-7-carboxamide
SMILESC#CCOC(C)c1c(C)c(C(=O)NCC2C(=O)N=C(C)C=C2C)cc2cccn12
InChIInChI=1S/C23H25N3O3/c1-6-10-29-17(5)21-16(4)19(12-18-8-7-9-26(18)21)22(27)24-13-20-14(2)11-15(3)25-23(20)28/h1,7-9,11-12,17,20H,10,13H2,2-5H3,(H,24,27)
InChIKeyXILKODBMDPAYJG-UHFFFAOYSA-N
XLogP3.25
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', '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]-6-methyl-5-(1-prop-2-ynoxyethyl)indolizine-7-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-prop-2-ynoxyethyl)indolizine-7-carboxamide (CID 156907460) is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-prop-2-ynoxyethyl)indolizine-7-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-prop-2-ynoxyethyl)indolizine-7-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-prop-2-ynoxyethyl)indolizine-7-carboxamide is C#CCOC(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]-6-methyl-5-(1-prop-2-ynoxyethyl)indolizine-7-carboxamide?
The InChIKey is XILKODBMDPAYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-6-10-29-17(5)21-16(4)19(12-18-8-7-9-26(18)21)22(27)24-13-20-14(2)11-15(3)25-23(20)28/h1,7-9,11-12,17,20H,10,13H2,2-5H3,(H,24,27).
What are the key properties of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-prop-2-ynoxyethyl)indolizine-7-carboxamide?
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-prop-2-ynoxyethyl)indolizine-7-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 3.25, 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]-6-methyl-5-(1-prop-2-ynoxyethyl)indolizine-7-carboxamide is sourced from PubChem (CID 156907460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).