7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylic acid

C25H30N4O5 — CID 138733809

IUPAC7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylic acid
SMILESCc1cc(C)c(CNC(=O)c2cc3cc(C(=O)O)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
InChIInChI=1S/C25H30N4O5/c1-14-9-15(2)27-24(31)21(14)12-26-23(30)20-11-19-10-18(25(32)33)13-29(19)22(16(20)3)17(4)28-5-7-34-8-6-28/h9-11,13,17H,5-8,12H2,1-4H3,(H,26,30)(H,27,31)(H,32,33)
InChIKeyNEADPNPZRCNJHP-UHFFFAOYSA-N
MW466.54 g/mol
LogP2.57
Rot. Bonds6

About 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylic acid

7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylic acid (PubChem CID 138733809) has the molecular formula C25H30N4O5 and a molecular weight of 466.54 g/mol. Its IUPAC name is 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylic acid.

Molecular Properties

Compound Name7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylic acid
PubChem CID138733809
Molecular FormulaC25H30N4O5
Molecular Weight466.54 g/mol
Exact Mass466.22
IUPAC Name7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylic acid
SMILESCc1cc(C)c(CNC(=O)c2cc3cc(C(=O)O)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
InChIInChI=1S/C25H30N4O5/c1-14-9-15(2)27-24(31)21(14)12-26-23(30)20-11-19-10-18(25(32)33)13-29(19)22(16(20)3)17(4)28-5-7-34-8-6-28/h9-11,13,17H,5-8,12H2,1-4H3,(H,26,30)(H,27,31)(H,32,33)
InChIKeyNEADPNPZRCNJHP-UHFFFAOYSA-N
XLogP2.57
TPSA116.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylic acid?
The IUPAC name of 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylic acid (CID 138733809) is 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylic acid.
What is the SMILES notation for 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylic acid?
The canonical SMILES for 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylic acid is Cc1cc(C)c(CNC(=O)c2cc3cc(C(=O)O)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1.
What is the InChIKey of 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylic acid?
The InChIKey is NEADPNPZRCNJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5/c1-14-9-15(2)27-24(31)21(14)12-26-23(30)20-11-19-10-18(25(32)33)13-29(19)22(16(20)3)17(4)28-5-7-34-8-6-28/h9-11,13,17H,5-8,12H2,1-4H3,(H,26,30)(H,27,31)(H,32,33).
What are the key properties of 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylic acid?
7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylic acid has a molecular weight of 466.54 g/mol, XLogP of 2.57, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-2-carboxylic acid is sourced from PubChem (CID 138733809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).