2-ethyl-1-oxo-N-(pyridin-3-ylmethyl)isoquinoline-3-carboxamide

C18H17N3O2 — CID 171701221

IUPAC2-ethyl-1-oxo-N-(pyridin-3-ylmethyl)isoquinoline-3-carboxamide
SMILESCCn1c(C(=O)NCc2cccnc2)cc2ccccc2c1=O
InChIInChI=1S/C18H17N3O2/c1-2-21-16(10-14-7-3-4-8-15(14)18(21)23)17(22)20-12-13-6-5-9-19-11-13/h3-11H,2,12H2,1H3,(H,20,22)
InChIKeyWAOBFZUIRNVLOR-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.35
Rot. Bonds4

About 2-ethyl-1-oxo-N-(pyridin-3-ylmethyl)isoquinoline-3-carboxamide

2-ethyl-1-oxo-N-(pyridin-3-ylmethyl)isoquinoline-3-carboxamide (PubChem CID 171701221) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-ethyl-1-oxo-N-(pyridin-3-ylmethyl)isoquinoline-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-1-oxo-N-(pyridin-3-ylmethyl)isoquinoline-3-carboxamide
PubChem CID171701221
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-ethyl-1-oxo-N-(pyridin-3-ylmethyl)isoquinoline-3-carboxamide
SMILESCCn1c(C(=O)NCc2cccnc2)cc2ccccc2c1=O
InChIInChI=1S/C18H17N3O2/c1-2-21-16(10-14-7-3-4-8-15(14)18(21)23)17(22)20-12-13-6-5-9-19-11-13/h3-11H,2,12H2,1H3,(H,20,22)
InChIKeyWAOBFZUIRNVLOR-UHFFFAOYSA-N
XLogP2.35
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-oxo-2-(2-phenylethyl)-N-(pyridin-3-ylmethyl)isoquinoline-3-carboxamide
CID 172882568
7-fluoro-1-oxo-2-propyl-N-(pyridin-3-ylmethyl)isoquinoline-3-carboxamide
CID 172904800
1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)indole-2-carboxamide
CID 71700512
2-ethyl-1-oxo-N-propan-2-ylisoquinoline-3-carboxamide
CID 171700993
1-methyl-3-N,5-N-bis(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide
CID 29097126
2-methyl-6-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109371117
N-ethyl-2-(3-methylbutyl)-1-oxoisoquinoline-3-carboxamide
CID 171997172
1-ethyl-2,4-dioxo-7-propan-2-yl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 39267700
1-methyl-4-oxo-N-(pyridin-3-ylmethyl)-5H-pyrrolo[3,2-c]quinoline-2-carboxamide
CID 20857406
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
6-(2-ethoxyanilino)-2-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109371157
2-methyl-6-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109360410

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-oxo-N-(pyridin-3-ylmethyl)isoquinoline-3-carboxamide?
The IUPAC name of 2-ethyl-1-oxo-N-(pyridin-3-ylmethyl)isoquinoline-3-carboxamide (CID 171701221) is 2-ethyl-1-oxo-N-(pyridin-3-ylmethyl)isoquinoline-3-carboxamide.
What is the SMILES notation for 2-ethyl-1-oxo-N-(pyridin-3-ylmethyl)isoquinoline-3-carboxamide?
The canonical SMILES for 2-ethyl-1-oxo-N-(pyridin-3-ylmethyl)isoquinoline-3-carboxamide is CCn1c(C(=O)NCc2cccnc2)cc2ccccc2c1=O.
What is the InChIKey of 2-ethyl-1-oxo-N-(pyridin-3-ylmethyl)isoquinoline-3-carboxamide?
The InChIKey is WAOBFZUIRNVLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-2-21-16(10-14-7-3-4-8-15(14)18(21)23)17(22)20-12-13-6-5-9-19-11-13/h3-11H,2,12H2,1H3,(H,20,22).
What are the key properties of 2-ethyl-1-oxo-N-(pyridin-3-ylmethyl)isoquinoline-3-carboxamide?
2-ethyl-1-oxo-N-(pyridin-3-ylmethyl)isoquinoline-3-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-oxo-N-(pyridin-3-ylmethyl)isoquinoline-3-carboxamide is sourced from PubChem (CID 171701221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).