ethyl 5-[(3-fluorophenyl)methylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate

C19H20FN3O3 — CID 112528300

IUPACethyl 5-[(3-fluorophenyl)methylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
SMILESCCOC(=O)N1CCc2c(cncc2C(=O)NCc2cccc(F)c2)C1
InChIInChI=1S/C19H20FN3O3/c1-2-26-19(25)23-7-6-16-14(12-23)10-21-11-17(16)18(24)22-9-13-4-3-5-15(20)8-13/h3-5,8,10-11H,2,6-7,9,12H2,1H3,(H,22,24)
InChIKeyDCEQNQNJTNGKLZ-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.67
Rot. Bonds4

About ethyl 5-[(3-fluorophenyl)methylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate

ethyl 5-[(3-fluorophenyl)methylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate (PubChem CID 112528300) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is ethyl 5-[(3-fluorophenyl)methylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(3-fluorophenyl)methylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
PubChem CID112528300
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Nameethyl 5-[(3-fluorophenyl)methylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
SMILESCCOC(=O)N1CCc2c(cncc2C(=O)NCc2cccc(F)c2)C1
InChIInChI=1S/C19H20FN3O3/c1-2-26-19(25)23-7-6-16-14(12-23)10-21-11-17(16)18(24)22-9-13-4-3-5-15(20)8-13/h3-5,8,10-11H,2,6-7,9,12H2,1H3,(H,22,24)
InChIKeyDCEQNQNJTNGKLZ-UHFFFAOYSA-N
XLogP2.67
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-[(4-methoxyphenyl)methylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112522018
ethyl 5-[(2,3-dimethylphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112522574
ethyl 5-(diethylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112530521
ethyl 5-(1,3-benzoxazol-2-ylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112528189
7-acetyl-N-(pyridin-4-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112522226
methyl 5-[2-(4-methoxyphenyl)ethylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112528995
2-N,2-N-dimethyl-5-N-[(4-methylsulfonylphenyl)methyl]-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112522295
methyl 5-(2-morpholin-4-ylethylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112520313
(3-fluorophenyl)methyl 3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 66653977
7-acetyl-N-(4-ethylphenyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112524044
5-N-[(2-chlorophenyl)methyl]-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112522534
5-amino-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 115330388

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(3-fluorophenyl)methylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
The IUPAC name of ethyl 5-[(3-fluorophenyl)methylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate (CID 112528300) is ethyl 5-[(3-fluorophenyl)methylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-[(3-fluorophenyl)methylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
The canonical SMILES for ethyl 5-[(3-fluorophenyl)methylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate is CCOC(=O)N1CCc2c(cncc2C(=O)NCc2cccc(F)c2)C1.
What is the InChIKey of ethyl 5-[(3-fluorophenyl)methylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
The InChIKey is DCEQNQNJTNGKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-2-26-19(25)23-7-6-16-14(12-23)10-21-11-17(16)18(24)22-9-13-4-3-5-15(20)8-13/h3-5,8,10-11H,2,6-7,9,12H2,1H3,(H,22,24).
What are the key properties of ethyl 5-[(3-fluorophenyl)methylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
ethyl 5-[(3-fluorophenyl)methylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate has a molecular weight of 357.39 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(3-fluorophenyl)methylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate is sourced from PubChem (CID 112528300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).