1,7-dimethyl-4-oxo-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1,8-naphthyridine-3-carboxamide

C19H19N3O3 — CID 95626571

IUPAC1,7-dimethyl-4-oxo-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1,8-naphthyridine-3-carboxamide
SMILESCc1ccc2c(=O)c(C(=O)N[C@@H]3CCCc4occc43)cn(C)c2n1
InChIInChI=1S/C19H19N3O3/c1-11-6-7-13-17(23)14(10-22(2)18(13)20-11)19(24)21-15-4-3-5-16-12(15)8-9-25-16/h6-10,15H,3-5H2,1-2H3,(H,21,24)/t15-/m1/s1
InChIKeyALQMYCFWQJDSLQ-OAHLLOKOSA-N
MW337.38 g/mol
LogP2.64
Rot. Bonds2

About 1,7-dimethyl-4-oxo-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1,8-naphthyridine-3-carboxamide

1,7-dimethyl-4-oxo-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1,8-naphthyridine-3-carboxamide (PubChem CID 95626571) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1,7-dimethyl-4-oxo-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1,7-dimethyl-4-oxo-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1,8-naphthyridine-3-carboxamide
PubChem CID95626571
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name1,7-dimethyl-4-oxo-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1,8-naphthyridine-3-carboxamide
SMILESCc1ccc2c(=O)c(C(=O)N[C@@H]3CCCc4occc43)cn(C)c2n1
InChIInChI=1S/C19H19N3O3/c1-11-6-7-13-17(23)14(10-22(2)18(13)20-11)19(24)21-15-4-3-5-16-12(15)8-9-25-16/h6-10,15H,3-5H2,1-2H3,(H,21,24)/t15-/m1/s1
InChIKeyALQMYCFWQJDSLQ-OAHLLOKOSA-N
XLogP2.64
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,7-dimethyl-4-oxo-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1,8-naphthyridine-3-carboxamide with MolForge

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Related Compounds

1-ethyl-7-methyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,8-naphthyridine-3-carboxamide
CID 1174766
1-methyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrole-2-carboxamide
CID 95274864
2,5,6-trimethyl-3-oxo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridazine-4-carboxamide
CID 75370547
2-methylsulfanyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 42949896
7-fluoro-2-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)quinoline-3-carboxamide
CID 86923970
6-cyclopropyl-1-propan-2-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 86923939
1-ethyl-7-methyl-4-oxo-N-(2-oxoazepan-3-yl)-1,8-naphthyridine-3-carboxamide
CID 23959970
2,4,5-trimethyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]furan-3-carboxamide
CID 95383153
2-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide
CID 60734553
2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,3-thiazole-4-carboxamide
CID 55116351
2-pyrrolidin-1-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide
CID 71898311
tritio 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 147507545

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-4-oxo-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1,7-dimethyl-4-oxo-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1,8-naphthyridine-3-carboxamide (CID 95626571) is 1,7-dimethyl-4-oxo-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1,7-dimethyl-4-oxo-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1,7-dimethyl-4-oxo-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1,8-naphthyridine-3-carboxamide is Cc1ccc2c(=O)c(C(=O)N[C@@H]3CCCc4occc43)cn(C)c2n1.
What is the InChIKey of 1,7-dimethyl-4-oxo-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is ALQMYCFWQJDSLQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-11-6-7-13-17(23)14(10-22(2)18(13)20-11)19(24)21-15-4-3-5-16-12(15)8-9-25-16/h6-10,15H,3-5H2,1-2H3,(H,21,24)/t15-/m1/s1.
What are the key properties of 1,7-dimethyl-4-oxo-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1,8-naphthyridine-3-carboxamide?
1,7-dimethyl-4-oxo-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-4-oxo-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 95626571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).