(5R)-N-[(6-methoxy-2-pyridinyl)methyl]-N-methyl-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide

C17H19N3O3 — CID 125461920

IUPAC(5R)-N-[(6-methoxy-2-pyridinyl)methyl]-N-methyl-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide
SMILESCOc1cccc(CN(C)C(=O)[C@H]2CCC(=O)c3cccn32)n1
InChIInChI=1S/C17H19N3O3/c1-19(11-12-5-3-7-16(18-12)23-2)17(22)14-8-9-15(21)13-6-4-10-20(13)14/h3-7,10,14H,8-9,11H2,1-2H3/t14-/m1/s1
InChIKeyJUNVDFWBZUIRJH-CQSZACIVSA-N
MW313.36 g/mol
LogP2.07
Rot. Bonds4

About (5R)-N-[(6-methoxy-2-pyridinyl)methyl]-N-methyl-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide

(5R)-N-[(6-methoxy-2-pyridinyl)methyl]-N-methyl-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide (PubChem CID 125461920) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is (5R)-N-[(6-methoxy-2-pyridinyl)methyl]-N-methyl-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide.

Molecular Properties

Compound Name(5R)-N-[(6-methoxy-2-pyridinyl)methyl]-N-methyl-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide
PubChem CID125461920
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name(5R)-N-[(6-methoxy-2-pyridinyl)methyl]-N-methyl-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide
SMILESCOc1cccc(CN(C)C(=O)[C@H]2CCC(=O)c3cccn32)n1
InChIInChI=1S/C17H19N3O3/c1-19(11-12-5-3-7-16(18-12)23-2)17(22)14-8-9-15(21)13-6-4-10-20(13)14/h3-7,10,14H,8-9,11H2,1-2H3/t14-/m1/s1
InChIKeyJUNVDFWBZUIRJH-CQSZACIVSA-N
XLogP2.07
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-[(6-methoxy-2-pyridinyl)methyl]-N-methyl-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide?
The IUPAC name of (5R)-N-[(6-methoxy-2-pyridinyl)methyl]-N-methyl-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide (CID 125461920) is (5R)-N-[(6-methoxy-2-pyridinyl)methyl]-N-methyl-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide.
What is the SMILES notation for (5R)-N-[(6-methoxy-2-pyridinyl)methyl]-N-methyl-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide?
The canonical SMILES for (5R)-N-[(6-methoxy-2-pyridinyl)methyl]-N-methyl-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide is COc1cccc(CN(C)C(=O)[C@H]2CCC(=O)c3cccn32)n1.
What is the InChIKey of (5R)-N-[(6-methoxy-2-pyridinyl)methyl]-N-methyl-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide?
The InChIKey is JUNVDFWBZUIRJH-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-19(11-12-5-3-7-16(18-12)23-2)17(22)14-8-9-15(21)13-6-4-10-20(13)14/h3-7,10,14H,8-9,11H2,1-2H3/t14-/m1/s1.
What are the key properties of (5R)-N-[(6-methoxy-2-pyridinyl)methyl]-N-methyl-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide?
(5R)-N-[(6-methoxy-2-pyridinyl)methyl]-N-methyl-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[(6-methoxy-2-pyridinyl)methyl]-N-methyl-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide is sourced from PubChem (CID 125461920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).