N-ethyl-1,6-dihydroxy-N-methyl-7-oxo-2,3-dihydro-1H-indolizine-5-carboxamide

C12H16N2O4 — CID 145342994

IUPACN-ethyl-1,6-dihydroxy-N-methyl-7-oxo-2,3-dihydro-1H-indolizine-5-carboxamide
SMILESCCN(C)C(=O)c1c(O)c(=O)cc2n1CCC2O
InChIInChI=1S/C12H16N2O4/c1-3-13(2)12(18)10-11(17)9(16)6-7-8(15)4-5-14(7)10/h6,8,15,17H,3-5H2,1-2H3
InChIKeyCTZJHFKOQASOHR-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.08
Rot. Bonds2

About N-ethyl-1,6-dihydroxy-N-methyl-7-oxo-2,3-dihydro-1H-indolizine-5-carboxamide

N-ethyl-1,6-dihydroxy-N-methyl-7-oxo-2,3-dihydro-1H-indolizine-5-carboxamide (PubChem CID 145342994) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-ethyl-1,6-dihydroxy-N-methyl-7-oxo-2,3-dihydro-1H-indolizine-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-1,6-dihydroxy-N-methyl-7-oxo-2,3-dihydro-1H-indolizine-5-carboxamide
PubChem CID145342994
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC NameN-ethyl-1,6-dihydroxy-N-methyl-7-oxo-2,3-dihydro-1H-indolizine-5-carboxamide
SMILESCCN(C)C(=O)c1c(O)c(=O)cc2n1CCC2O
InChIInChI=1S/C12H16N2O4/c1-3-13(2)12(18)10-11(17)9(16)6-7-8(15)4-5-14(7)10/h6,8,15,17H,3-5H2,1-2H3
InChIKeyCTZJHFKOQASOHR-UHFFFAOYSA-N
XLogP0.08
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(hydroxymethyl)-5-methoxy-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4(1H)-pyridinone
CID 16853128
2-ethyl-5-hydroxy-8-methoxy-3,3a,4,5-tetrahydro-1H-pyrazino[2,1,6-cd]indolizine-1,7(2H)-dione
CID 117696782
(4S)-6-ethyl-2-hydroxy-9-methoxy-6,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),8-diene-7,10-dione
CID 130191567
(4R)-6-ethyl-2-hydroxy-9-methoxy-6,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),8-diene-7,10-dione
CID 130191599
3-Hydroxy-6-(hydroxymethyl)-1-(3-methoxypropyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
CID 82217103
1-Butan-2-yl-3-hydroxy-6-(hydroxymethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
CID 82217122
3-Hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
CID 82217159
3-Hydroxy-6-(hydroxymethyl)-1-(3-hydroxypropyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
CID 82217194
2-[[Butyl(methyl)amino]methyl]-3-hydroxy-6-(hydroxymethyl)-1-(3-hydroxypropyl)pyridin-4-one
CID 82217211
2-[3-Hydroxy-6-(hydroxymethyl)-4-oxo-2-(pyrrolidin-1-ylmethyl)-1-pyridinyl]acetic acid
CID 82217223
3-Hydroxy-6-(hydroxymethyl)-1-propyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
CID 82217275
1-Butyl-3-hydroxy-6-(hydroxymethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
CID 82217366

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,6-dihydroxy-N-methyl-7-oxo-2,3-dihydro-1H-indolizine-5-carboxamide?
The IUPAC name of N-ethyl-1,6-dihydroxy-N-methyl-7-oxo-2,3-dihydro-1H-indolizine-5-carboxamide (CID 145342994) is N-ethyl-1,6-dihydroxy-N-methyl-7-oxo-2,3-dihydro-1H-indolizine-5-carboxamide.
What is the SMILES notation for N-ethyl-1,6-dihydroxy-N-methyl-7-oxo-2,3-dihydro-1H-indolizine-5-carboxamide?
The canonical SMILES for N-ethyl-1,6-dihydroxy-N-methyl-7-oxo-2,3-dihydro-1H-indolizine-5-carboxamide is CCN(C)C(=O)c1c(O)c(=O)cc2n1CCC2O.
What is the InChIKey of N-ethyl-1,6-dihydroxy-N-methyl-7-oxo-2,3-dihydro-1H-indolizine-5-carboxamide?
The InChIKey is CTZJHFKOQASOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-3-13(2)12(18)10-11(17)9(16)6-7-8(15)4-5-14(7)10/h6,8,15,17H,3-5H2,1-2H3.
What are the key properties of N-ethyl-1,6-dihydroxy-N-methyl-7-oxo-2,3-dihydro-1H-indolizine-5-carboxamide?
N-ethyl-1,6-dihydroxy-N-methyl-7-oxo-2,3-dihydro-1H-indolizine-5-carboxamide has a molecular weight of 252.27 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,6-dihydroxy-N-methyl-7-oxo-2,3-dihydro-1H-indolizine-5-carboxamide is sourced from PubChem (CID 145342994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).