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

C33H40N4O6 — CID 138733663

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide
SMILESCOc1cc(-c2cc3cc(C(=O)NCc4c(C)cc(C)[nH]c4=O)c(C)c(C(C)N4CCOCC4)n3c2)cc(OC)c1OC
InChIInChI=1S/C33H40N4O6/c1-19-12-20(2)35-33(39)27(19)17-34-32(38)26-16-25-13-24(23-14-28(40-5)31(42-7)29(15-23)41-6)18-37(25)30(21(26)3)22(4)36-8-10-43-11-9-36/h12-16,18,22H,8-11,17H2,1-7H3,(H,34,38)(H,35,39)
InChIKeyXORNMRNXDPCIKP-UHFFFAOYSA-N
MW588.71 g/mol
LogP4.57
Rot. Bonds9

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

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide (PubChem CID 138733663) has the molecular formula C33H40N4O6 and a molecular weight of 588.71 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide
PubChem CID138733663
Molecular FormulaC33H40N4O6
Molecular Weight588.71 g/mol
Exact Mass588.29
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide
SMILESCOc1cc(-c2cc3cc(C(=O)NCc4c(C)cc(C)[nH]c4=O)c(C)c(C(C)N4CCOCC4)n3c2)cc(OC)c1OC
InChIInChI=1S/C33H40N4O6/c1-19-12-20(2)35-33(39)27(19)17-34-32(38)26-16-25-13-24(23-14-28(40-5)31(42-7)29(15-23)41-6)18-37(25)30(21(26)3)22(4)36-8-10-43-11-9-36/h12-16,18,22H,8-11,17H2,1-7H3,(H,34,38)(H,35,39)
InChIKeyXORNMRNXDPCIKP-UHFFFAOYSA-N
XLogP4.57
TPSA106.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500588.71
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide (CID 138733663) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide is COc1cc(-c2cc3cc(C(=O)NCc4c(C)cc(C)[nH]c4=O)c(C)c(C(C)N4CCOCC4)n3c2)cc(OC)c1OC.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide?
The InChIKey is XORNMRNXDPCIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N4O6/c1-19-12-20(2)35-33(39)27(19)17-34-32(38)26-16-25-13-24(23-14-28(40-5)31(42-7)29(15-23)41-6)18-37(25)30(21(26)3)22(4)36-8-10-43-11-9-36/h12-16,18,22H,8-11,17H2,1-7H3,(H,34,38)(H,35,39).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide has a molecular weight of 588.71 g/mol, XLogP of 4.57, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxamide is sourced from PubChem (CID 138733663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).