N-[(2-ethoxy-3-pyridinyl)methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

C18H19N3O4 — CID 37486921

IUPACN-[(2-ethoxy-3-pyridinyl)methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCCOc1ncccc1CNC(=O)c1cc2c([nH]c1=O)CCCC2=O
InChIInChI=1S/C18H19N3O4/c1-2-25-18-11(5-4-8-19-18)10-20-16(23)13-9-12-14(21-17(13)24)6-3-7-15(12)22/h4-5,8-9H,2-3,6-7,10H2,1H3,(H,20,23)(H,21,24)
InChIKeyQHVRITDOUUQPFP-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.62
Rot. Bonds5

About N-[(2-ethoxy-3-pyridinyl)methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

N-[(2-ethoxy-3-pyridinyl)methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 37486921) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[(2-ethoxy-3-pyridinyl)methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxy-3-pyridinyl)methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID37486921
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN-[(2-ethoxy-3-pyridinyl)methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCCOc1ncccc1CNC(=O)c1cc2c([nH]c1=O)CCCC2=O
InChIInChI=1S/C18H19N3O4/c1-2-25-18-11(5-4-8-19-18)10-20-16(23)13-9-12-14(21-17(13)24)6-3-7-15(12)22/h4-5,8-9H,2-3,6-7,10H2,1H3,(H,20,23)(H,21,24)
InChIKeyQHVRITDOUUQPFP-UHFFFAOYSA-N
XLogP1.62
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2-ethoxy-3-pyridinyl)methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide with MolForge

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Related Compounds

N-[(2-ethoxy-3-pyridinyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 70746076
N-(2-methoxyethyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 36656888
2-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]-4-fluorobenzamide
CID 38537865
2-[2-[(2-ethoxy-3-pyridinyl)methylcarbamoyl]anilino]acetic acid
CID 50959569
3,4,5-triethoxy-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide
CID 30832504
N-[(2-ethoxy-3-pyridinyl)methyl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-5-carboxamide
CID 119052185
N-[(2-ethoxy-3-pyridinyl)methyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 38537886
N-[(2-ethoxy-3-pyridinyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 38538539
(5R)-N-[(2-ethoxy-3-pyridinyl)methyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 30832499
7,7-dimethyl-2,5-dioxo-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56559974
cis-(1R,2S)-N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 38537729
3,6-dichloro-N-[(2-ethoxy-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 38539806

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 37486921) is N-[(2-ethoxy-3-pyridinyl)methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-[(2-ethoxy-3-pyridinyl)methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-[(2-ethoxy-3-pyridinyl)methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is CCOc1ncccc1CNC(=O)c1cc2c([nH]c1=O)CCCC2=O.
What is the InChIKey of N-[(2-ethoxy-3-pyridinyl)methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is QHVRITDOUUQPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-2-25-18-11(5-4-8-19-18)10-20-16(23)13-9-12-14(21-17(13)24)6-3-7-15(12)22/h4-5,8-9H,2-3,6-7,10H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[(2-ethoxy-3-pyridinyl)methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
N-[(2-ethoxy-3-pyridinyl)methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-3-pyridinyl)methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 37486921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).