7-ethoxy-N-pyridin-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide

C17H19N3O2 — CID 86869103

IUPAC7-ethoxy-N-pyridin-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCCOc1ccc2c(c1)CN(C(=O)Nc1ccccn1)CC2
InChIInChI=1S/C17H19N3O2/c1-2-22-15-7-6-13-8-10-20(12-14(13)11-15)17(21)19-16-5-3-4-9-18-16/h3-7,9,11H,2,8,10,12H2,1H3,(H,18,19,21)
InChIKeyDRUGKVMBOFTMGV-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.07
Rot. Bonds3

About 7-ethoxy-N-pyridin-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide

7-ethoxy-N-pyridin-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 86869103) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 7-ethoxy-N-pyridin-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name7-ethoxy-N-pyridin-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID86869103
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name7-ethoxy-N-pyridin-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCCOc1ccc2c(c1)CN(C(=O)Nc1ccccn1)CC2
InChIInChI=1S/C17H19N3O2/c1-2-22-15-7-6-13-8-10-20(12-14(13)11-15)17(21)19-16-5-3-4-9-18-16/h3-7,9,11H,2,8,10,12H2,1H3,(H,18,19,21)
InChIKeyDRUGKVMBOFTMGV-UHFFFAOYSA-N
XLogP3.07
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-ethoxy-N-(2,4,6-trimethylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 86869738
N-(3,4-dimethylphenyl)-7-ethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 86869733
N-[3-(difluoromethoxy)phenyl]-7-ethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 86869916
7-ethoxy-N-(3-ethynylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 86869854
N-(3-chloro-2-methoxyphenyl)-7-ethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 86870043
7-ethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 86869231
2-chloro-1-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 166403837
3-[2-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]quinazolin-4-one
CID 47086044
7-ethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 94804289
7-ethoxy-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 86869222
N-(2-ethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 6469538
(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-ethylcyclobutyl)methanone
CID 167991950

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-N-pyridin-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 7-ethoxy-N-pyridin-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 86869103) is 7-ethoxy-N-pyridin-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 7-ethoxy-N-pyridin-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 7-ethoxy-N-pyridin-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide is CCOc1ccc2c(c1)CN(C(=O)Nc1ccccn1)CC2.
What is the InChIKey of 7-ethoxy-N-pyridin-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is DRUGKVMBOFTMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-2-22-15-7-6-13-8-10-20(12-14(13)11-15)17(21)19-16-5-3-4-9-18-16/h3-7,9,11H,2,8,10,12H2,1H3,(H,18,19,21).
What are the key properties of 7-ethoxy-N-pyridin-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
7-ethoxy-N-pyridin-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-N-pyridin-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 86869103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).