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

C16H15N5O2 — CID 56709003

IUPAC6-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile
SMILESCCn1ncc(Cn2ccc3[nH]c(=O)c(C#N)cc3c2=O)c1C
InChIInChI=1S/C16H15N5O2/c1-3-21-10(2)12(8-18-21)9-20-5-4-14-13(16(20)23)6-11(7-17)15(22)19-14/h4-6,8H,3,9H2,1-2H3,(H,19,22)
InChIKeyJMSWDEDNOPWMDQ-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.13
Rot. Bonds3

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

6-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile (PubChem CID 56709003) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 6-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile
PubChem CID56709003
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name6-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile
SMILESCCn1ncc(Cn2ccc3[nH]c(=O)c(C#N)cc3c2=O)c1C
InChIInChI=1S/C16H15N5O2/c1-3-21-10(2)12(8-18-21)9-20-5-4-14-13(16(20)23)6-11(7-17)15(22)19-14/h4-6,8H,3,9H2,1-2H3,(H,19,22)
InChIKeyJMSWDEDNOPWMDQ-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 6-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile (CID 56709003) is 6-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 6-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 6-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile is CCn1ncc(Cn2ccc3[nH]c(=O)c(C#N)cc3c2=O)c1C.
What is the InChIKey of 6-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile?
The InChIKey is JMSWDEDNOPWMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-3-21-10(2)12(8-18-21)9-20-5-4-14-13(16(20)23)6-11(7-17)15(22)19-14/h4-6,8H,3,9H2,1-2H3,(H,19,22).
What are the key properties of 6-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile?
6-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile has a molecular weight of 309.33 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,5-dioxo-1H-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 56709003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).