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

C27H29N3O3 — CID 156907465

IUPACN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc2cccn2c(C(C)OCc2ccccc2)c1C
InChIInChI=1S/C27H29N3O3/c1-17-13-18(2)29-27(32)24(17)15-28-26(31)23-14-22-11-8-12-30(22)25(19(23)3)20(4)33-16-21-9-6-5-7-10-21/h5-14,20,24H,15-16H2,1-4H3,(H,28,31)
InChIKeyRAVCUWRTBDJXFW-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.82
Rot. Bonds7

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

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxamide (PubChem CID 156907465) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxamide
PubChem CID156907465
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc2cccn2c(C(C)OCc2ccccc2)c1C
InChIInChI=1S/C27H29N3O3/c1-17-13-18(2)29-27(32)24(17)15-28-26(31)23-14-22-11-8-12-30(22)25(19(23)3)20(4)33-16-21-9-6-5-7-10-21/h5-14,20,24H,15-16H2,1-4H3,(H,28,31)
InChIKeyRAVCUWRTBDJXFW-UHFFFAOYSA-N
XLogP4.82
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-phenylmethoxyethyl)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-phenylmethoxyethyl)indolizine-7-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxamide (CID 156907465) is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1cc2cccn2c(C(C)OCc2ccccc2)c1C.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxamide?
The InChIKey is RAVCUWRTBDJXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-17-13-18(2)29-27(32)24(17)15-28-26(31)23-14-22-11-8-12-30(22)25(19(23)3)20(4)33-16-21-9-6-5-7-10-21/h5-14,20,24H,15-16H2,1-4H3,(H,28,31).
What are the key properties of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxamide?
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 4.82, 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-phenylmethoxyethyl)indolizine-7-carboxamide is sourced from PubChem (CID 156907465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).