methyl 5-(pyridin-3-ylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate

C16H16N4O3 — CID 112524083

IUPACmethyl 5-(pyridin-3-ylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
SMILESCOC(=O)N1CCc2c(cncc2C(=O)Nc2cccnc2)C1
InChIInChI=1S/C16H16N4O3/c1-23-16(22)20-6-4-13-11(10-20)7-18-9-14(13)15(21)19-12-3-2-5-17-8-12/h2-3,5,7-9H,4,6,10H2,1H3,(H,19,21)
InChIKeyFZIKKPNQFDLCTR-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.85
Rot. Bonds2

About methyl 5-(pyridin-3-ylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate

methyl 5-(pyridin-3-ylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate (PubChem CID 112524083) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is methyl 5-(pyridin-3-ylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(pyridin-3-ylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
PubChem CID112524083
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Namemethyl 5-(pyridin-3-ylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
SMILESCOC(=O)N1CCc2c(cncc2C(=O)Nc2cccnc2)C1
InChIInChI=1S/C16H16N4O3/c1-23-16(22)20-6-4-13-11(10-20)7-18-9-14(13)15(21)19-12-3-2-5-17-8-12/h2-3,5,7-9H,4,6,10H2,1H3,(H,19,21)
InChIKeyFZIKKPNQFDLCTR-UHFFFAOYSA-N
XLogP1.85
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(pyridin-3-ylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
The IUPAC name of methyl 5-(pyridin-3-ylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate (CID 112524083) is methyl 5-(pyridin-3-ylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(pyridin-3-ylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
The canonical SMILES for methyl 5-(pyridin-3-ylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate is COC(=O)N1CCc2c(cncc2C(=O)Nc2cccnc2)C1.
What is the InChIKey of methyl 5-(pyridin-3-ylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
The InChIKey is FZIKKPNQFDLCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-23-16(22)20-6-4-13-11(10-20)7-18-9-14(13)15(21)19-12-3-2-5-17-8-12/h2-3,5,7-9H,4,6,10H2,1H3,(H,19,21).
What are the key properties of methyl 5-(pyridin-3-ylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
methyl 5-(pyridin-3-ylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate has a molecular weight of 312.33 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(pyridin-3-ylcarbamoyl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate is sourced from PubChem (CID 112524083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).