6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-4-oxo-1H-1,8-naphthyridine-2-carbonitrile

C20H13ClN4O2 — CID 137438435

IUPAC6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-4-oxo-1H-1,8-naphthyridine-2-carbonitrile
SMILESCc1cc(-c2cc3c(=O)cc(C#N)[nH]c3nc2-c2ccc(C)o2)cc(Cl)n1
InChIInChI=1S/C20H13ClN4O2/c1-10-5-12(6-18(21)23-10)14-8-15-16(26)7-13(9-22)24-20(15)25-19(14)17-4-3-11(2)27-17/h3-8H,1-2H3,(H,24,25,26)
InChIKeySLZLYOAESZECHC-UHFFFAOYSA-N
MW376.80 g/mol
LogP4.39
Rot. Bonds2

About 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-4-oxo-1H-1,8-naphthyridine-2-carbonitrile

6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-4-oxo-1H-1,8-naphthyridine-2-carbonitrile (PubChem CID 137438435) has the molecular formula C20H13ClN4O2 and a molecular weight of 376.80 g/mol. Its IUPAC name is 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-4-oxo-1H-1,8-naphthyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-4-oxo-1H-1,8-naphthyridine-2-carbonitrile
PubChem CID137438435
Molecular FormulaC20H13ClN4O2
Molecular Weight376.80 g/mol
Exact Mass376.07
IUPAC Name6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-4-oxo-1H-1,8-naphthyridine-2-carbonitrile
SMILESCc1cc(-c2cc3c(=O)cc(C#N)[nH]c3nc2-c2ccc(C)o2)cc(Cl)n1
InChIInChI=1S/C20H13ClN4O2/c1-10-5-12(6-18(21)23-10)14-8-15-16(26)7-13(9-22)24-20(15)25-19(14)17-4-3-11(2)27-17/h3-8H,1-2H3,(H,24,25,26)
InChIKeySLZLYOAESZECHC-UHFFFAOYSA-N
XLogP4.39
TPSA95.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-4-oxo-1H-1,8-naphthyridine-2-carbonitrile?
The IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-4-oxo-1H-1,8-naphthyridine-2-carbonitrile (CID 137438435) is 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-4-oxo-1H-1,8-naphthyridine-2-carbonitrile.
What is the SMILES notation for 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-4-oxo-1H-1,8-naphthyridine-2-carbonitrile?
The canonical SMILES for 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-4-oxo-1H-1,8-naphthyridine-2-carbonitrile is Cc1cc(-c2cc3c(=O)cc(C#N)[nH]c3nc2-c2ccc(C)o2)cc(Cl)n1.
What is the InChIKey of 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-4-oxo-1H-1,8-naphthyridine-2-carbonitrile?
The InChIKey is SLZLYOAESZECHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN4O2/c1-10-5-12(6-18(21)23-10)14-8-15-16(26)7-13(9-22)24-20(15)25-19(14)17-4-3-11(2)27-17/h3-8H,1-2H3,(H,24,25,26).
What are the key properties of 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-4-oxo-1H-1,8-naphthyridine-2-carbonitrile?
6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-4-oxo-1H-1,8-naphthyridine-2-carbonitrile has a molecular weight of 376.80 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-4-oxo-1H-1,8-naphthyridine-2-carbonitrile is sourced from PubChem (CID 137438435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).