6-[3-(1-methylpyrazol-4-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile

C16H15N5O2 — CID 56717423

IUPAC6-[3-(1-methylpyrazol-4-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile
SMILESCn1cc(CCCn2ccc3[nH]c(=O)c(C#N)cc3c2=O)cn1
InChIInChI=1S/C16H15N5O2/c1-20-10-11(9-18-20)3-2-5-21-6-4-14-13(16(21)23)7-12(8-17)15(22)19-14/h4,6-7,9-10H,2-3,5H2,1H3,(H,19,22)
InChIKeyBNYAENBUWLIJHG-UHFFFAOYSA-N
MW309.33 g/mol
LogP0.93
Rot. Bonds4

About 6-[3-(1-methylpyrazol-4-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile

6-[3-(1-methylpyrazol-4-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile (PubChem CID 56717423) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 6-[3-(1-methylpyrazol-4-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[3-(1-methylpyrazol-4-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile
PubChem CID56717423
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name6-[3-(1-methylpyrazol-4-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile
SMILESCn1cc(CCCn2ccc3[nH]c(=O)c(C#N)cc3c2=O)cn1
InChIInChI=1S/C16H15N5O2/c1-20-10-11(9-18-20)3-2-5-21-6-4-14-13(16(21)23)7-12(8-17)15(22)19-14/h4,6-7,9-10H,2-3,5H2,1H3,(H,19,22)
InChIKeyBNYAENBUWLIJHG-UHFFFAOYSA-N
XLogP0.93
TPSA96.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(1-methylpyrazol-4-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 6-[3-(1-methylpyrazol-4-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile (CID 56717423) is 6-[3-(1-methylpyrazol-4-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 6-[3-(1-methylpyrazol-4-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 6-[3-(1-methylpyrazol-4-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile is Cn1cc(CCCn2ccc3[nH]c(=O)c(C#N)cc3c2=O)cn1.
What is the InChIKey of 6-[3-(1-methylpyrazol-4-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile?
The InChIKey is BNYAENBUWLIJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-20-10-11(9-18-20)3-2-5-21-6-4-14-13(16(21)23)7-12(8-17)15(22)19-14/h4,6-7,9-10H,2-3,5H2,1H3,(H,19,22).
What are the key properties of 6-[3-(1-methylpyrazol-4-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile?
6-[3-(1-methylpyrazol-4-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile has a molecular weight of 309.33 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1-methylpyrazol-4-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 56717423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).