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

C24H29N3O3 — CID 156907461

IUPACN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(2-methylprop-2-enoxy)ethyl]indolizine-7-carboxamide
SMILESC=C(C)COC(C)c1c(C)c(C(=O)NCC2C(=O)N=C(C)C=C2C)cc2cccn12
InChIInChI=1S/C24H29N3O3/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/h7-11,18,21H,1,12-13H2,2-6H3,(H,25,28)
InChIKeyLSDFAUQMMRAUAX-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.19
Rot. Bonds7

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

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(2-methylprop-2-enoxy)ethyl]indolizine-7-carboxamide (PubChem CID 156907461) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(2-methylprop-2-enoxy)ethyl]indolizine-7-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(2-methylprop-2-enoxy)ethyl]indolizine-7-carboxamide
PubChem CID156907461
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(2-methylprop-2-enoxy)ethyl]indolizine-7-carboxamide
SMILESC=C(C)COC(C)c1c(C)c(C(=O)NCC2C(=O)N=C(C)C=C2C)cc2cccn12
InChIInChI=1S/C24H29N3O3/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/h7-11,18,21H,1,12-13H2,2-6H3,(H,25,28)
InChIKeyLSDFAUQMMRAUAX-UHFFFAOYSA-N
XLogP4.19
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-(2-methylprop-2-enoxy)ethyl]indolizine-7-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(2-methylprop-2-enoxy)ethyl]indolizine-7-carboxamide (CID 156907461) is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(2-methylprop-2-enoxy)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-methylprop-2-enoxy)ethyl]indolizine-7-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(2-methylprop-2-enoxy)ethyl]indolizine-7-carboxamide is C=C(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]-6-methyl-5-[1-(2-methylprop-2-enoxy)ethyl]indolizine-7-carboxamide?
The InChIKey is LSDFAUQMMRAUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/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/h7-11,18,21H,1,12-13H2,2-6H3,(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-methylprop-2-enoxy)ethyl]indolizine-7-carboxamide?
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(2-methylprop-2-enoxy)ethyl]indolizine-7-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 4.19, 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-methylprop-2-enoxy)ethyl]indolizine-7-carboxamide is sourced from PubChem (CID 156907461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).