8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carbonitrile

C19H13N5 — CID 118660828

IUPAC8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carbonitrile
SMILESCn1cc(-c2ccc(-c3cncc4ccc(C#N)nc34)cc2)cn1
InChIInChI=1S/C19H13N5/c1-24-12-16(10-22-24)13-2-4-14(5-3-13)18-11-21-9-15-6-7-17(8-20)23-19(15)18/h2-7,9-12H,1H3
InChIKeySHRADRGUJPJGPF-UHFFFAOYSA-N
MW311.35 g/mol
LogP3.57
Rot. Bonds2

About 8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carbonitrile

8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carbonitrile (PubChem CID 118660828) has the molecular formula C19H13N5 and a molecular weight of 311.35 g/mol. Its IUPAC name is 8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carbonitrile.

Molecular Properties

Compound Name8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carbonitrile
PubChem CID118660828
Molecular FormulaC19H13N5
Molecular Weight311.35 g/mol
Exact Mass311.12
IUPAC Name8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carbonitrile
SMILESCn1cc(-c2ccc(-c3cncc4ccc(C#N)nc34)cc2)cn1
InChIInChI=1S/C19H13N5/c1-24-12-16(10-22-24)13-2-4-14(5-3-13)18-11-21-9-15-6-7-17(8-20)23-19(15)18/h2-7,9-12H,1H3
InChIKeySHRADRGUJPJGPF-UHFFFAOYSA-N
XLogP3.57
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carbonitrile?
The IUPAC name of 8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carbonitrile (CID 118660828) is 8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carbonitrile.
What is the SMILES notation for 8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carbonitrile?
The canonical SMILES for 8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carbonitrile is Cn1cc(-c2ccc(-c3cncc4ccc(C#N)nc34)cc2)cn1.
What is the InChIKey of 8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carbonitrile?
The InChIKey is SHRADRGUJPJGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5/c1-24-12-16(10-22-24)13-2-4-14(5-3-13)18-11-21-9-15-6-7-17(8-20)23-19(15)18/h2-7,9-12H,1H3.
What are the key properties of 8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carbonitrile?
8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carbonitrile has a molecular weight of 311.35 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carbonitrile is sourced from PubChem (CID 118660828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).