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

C16H15N5O2 — CID 56705968

IUPAC6-[2-(4-methylpyrazol-1-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile
SMILESCc1cnn(C(C)Cn2ccc3[nH]c(=O)c(C#N)cc3c2=O)c1
InChIInChI=1S/C16H15N5O2/c1-10-7-18-21(8-10)11(2)9-20-4-3-14-13(16(20)23)5-12(6-17)15(22)19-14/h3-5,7-8,11H,9H2,1-2H3,(H,19,22)
InChIKeyWGYIUICKJAKTTF-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.33
Rot. Bonds3

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

6-[2-(4-methylpyrazol-1-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile (PubChem CID 56705968) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 6-[2-(4-methylpyrazol-1-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-(4-methylpyrazol-1-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile
PubChem CID56705968
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name6-[2-(4-methylpyrazol-1-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile
SMILESCc1cnn(C(C)Cn2ccc3[nH]c(=O)c(C#N)cc3c2=O)c1
InChIInChI=1S/C16H15N5O2/c1-10-7-18-21(8-10)11(2)9-20-4-3-14-13(16(20)23)5-12(6-17)15(22)19-14/h3-5,7-8,11H,9H2,1-2H3,(H,19,22)
InChIKeyWGYIUICKJAKTTF-UHFFFAOYSA-N
XLogP1.33
TPSA96.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methylpyrazol-1-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 6-[2-(4-methylpyrazol-1-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile (CID 56705968) is 6-[2-(4-methylpyrazol-1-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-(4-methylpyrazol-1-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 6-[2-(4-methylpyrazol-1-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile is Cc1cnn(C(C)Cn2ccc3[nH]c(=O)c(C#N)cc3c2=O)c1.
What is the InChIKey of 6-[2-(4-methylpyrazol-1-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile?
The InChIKey is WGYIUICKJAKTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-10-7-18-21(8-10)11(2)9-20-4-3-14-13(16(20)23)5-12(6-17)15(22)19-14/h3-5,7-8,11H,9H2,1-2H3,(H,19,22).
What are the key properties of 6-[2-(4-methylpyrazol-1-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile?
6-[2-(4-methylpyrazol-1-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile has a molecular weight of 309.33 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methylpyrazol-1-yl)propyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 56705968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).