ethyl 5-[2-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate

C20H27N5O3 — CID 112530146

IUPACethyl 5-[2-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
SMILESCCOC(=O)N1CCc2c(cncc2C(=O)NCCc2c(C)nn(C)c2C)C1
InChIInChI=1S/C20H27N5O3/c1-5-28-20(27)25-9-7-17-15(12-25)10-21-11-18(17)19(26)22-8-6-16-13(2)23-24(4)14(16)3/h10-11H,5-9,12H2,1-4H3,(H,22,26)
InChIKeyDXHOQRUZECHSGH-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.92
Rot. Bonds5

About ethyl 5-[2-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate

ethyl 5-[2-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate (PubChem CID 112530146) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is ethyl 5-[2-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
PubChem CID112530146
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Nameethyl 5-[2-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
SMILESCCOC(=O)N1CCc2c(cncc2C(=O)NCCc2c(C)nn(C)c2C)C1
InChIInChI=1S/C20H27N5O3/c1-5-28-20(27)25-9-7-17-15(12-25)10-21-11-18(17)19(26)22-8-6-16-13(2)23-24(4)14(16)3/h10-11H,5-9,12H2,1-4H3,(H,22,26)
InChIKeyDXHOQRUZECHSGH-UHFFFAOYSA-N
XLogP1.92
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-(diethylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112530521
ethyl 5-[(4-methoxyphenyl)methylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112522018
methyl 5-(2-morpholin-4-ylethylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112520313
ethyl 5-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112528240
ethyl 5-[(3-fluorophenyl)methylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112528300
methyl 5-[2-(4-methoxyphenyl)ethylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112528995
ethyl 5-[(5-methyl-1H-pyrazol-4-yl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112521742
ethyl 5-[(2,3-dimethylphenyl)carbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112522574
5-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-N,2-N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2,5-dicarboxamide
CID 112529860
5-amino-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-4-carboxamide
CID 82546172
ethyl 5-(1,3-benzoxazol-2-ylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112528189
7-acetyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112529746

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
The IUPAC name of ethyl 5-[2-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate (CID 112530146) is ethyl 5-[2-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-[2-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
The canonical SMILES for ethyl 5-[2-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate is CCOC(=O)N1CCc2c(cncc2C(=O)NCCc2c(C)nn(C)c2C)C1.
What is the InChIKey of ethyl 5-[2-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
The InChIKey is DXHOQRUZECHSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-5-28-20(27)25-9-7-17-15(12-25)10-21-11-18(17)19(26)22-8-6-16-13(2)23-24(4)14(16)3/h10-11H,5-9,12H2,1-4H3,(H,22,26).
What are the key properties of ethyl 5-[2-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
ethyl 5-[2-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate has a molecular weight of 385.47 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate is sourced from PubChem (CID 112530146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).