6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-isocyano-1H-indol-2-yl)-2-methylidene-1H-1,8-naphthyridine

C24H16ClN5 — CID 163563378

IUPAC6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-isocyano-1H-indol-2-yl)-2-methylidene-1H-1,8-naphthyridine
SMILES[C-]#[N+]c1ccc2[nH]c(-c3nc4c(cc3-c3cc(C)nc(Cl)c3)C=CC(=C)N4)cc2c1
InChIInChI=1S/C24H16ClN5/c1-13-4-5-15-10-19(16-8-14(2)27-22(25)12-16)23(30-24(15)28-13)21-11-17-9-18(26-3)6-7-20(17)29-21/h4-12,29H,1H2,2H3,(H,28,30)
InChIKeyOYIXSJKHQPHBIR-UHFFFAOYSA-N
MW409.88 g/mol
LogP6.76
Rot. Bonds2

About 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-isocyano-1H-indol-2-yl)-2-methylidene-1H-1,8-naphthyridine

6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-isocyano-1H-indol-2-yl)-2-methylidene-1H-1,8-naphthyridine (PubChem CID 163563378) has the molecular formula C24H16ClN5 and a molecular weight of 409.88 g/mol. Its IUPAC name is 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-isocyano-1H-indol-2-yl)-2-methylidene-1H-1,8-naphthyridine.

Molecular Properties

Compound Name6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-isocyano-1H-indol-2-yl)-2-methylidene-1H-1,8-naphthyridine
PubChem CID163563378
Molecular FormulaC24H16ClN5
Molecular Weight409.88 g/mol
Exact Mass409.11
IUPAC Name6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-isocyano-1H-indol-2-yl)-2-methylidene-1H-1,8-naphthyridine
SMILES[C-]#[N+]c1ccc2[nH]c(-c3nc4c(cc3-c3cc(C)nc(Cl)c3)C=CC(=C)N4)cc2c1
InChIInChI=1S/C24H16ClN5/c1-13-4-5-15-10-19(16-8-14(2)27-22(25)12-16)23(30-24(15)28-13)21-11-17-9-18(26-3)6-7-20(17)29-21/h4-12,29H,1H2,2H3,(H,28,30)
InChIKeyOYIXSJKHQPHBIR-UHFFFAOYSA-N
XLogP6.76
TPSA57.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.88
LogP ≤ 56.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', '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-isocyano-1H-indol-2-yl)-2-methylidene-1H-1,8-naphthyridine?
The IUPAC name of 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-isocyano-1H-indol-2-yl)-2-methylidene-1H-1,8-naphthyridine (CID 163563378) is 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-isocyano-1H-indol-2-yl)-2-methylidene-1H-1,8-naphthyridine.
What is the SMILES notation for 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-isocyano-1H-indol-2-yl)-2-methylidene-1H-1,8-naphthyridine?
The canonical SMILES for 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-isocyano-1H-indol-2-yl)-2-methylidene-1H-1,8-naphthyridine is [C-]#[N+]c1ccc2[nH]c(-c3nc4c(cc3-c3cc(C)nc(Cl)c3)C=CC(=C)N4)cc2c1.
What is the InChIKey of 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-isocyano-1H-indol-2-yl)-2-methylidene-1H-1,8-naphthyridine?
The InChIKey is OYIXSJKHQPHBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN5/c1-13-4-5-15-10-19(16-8-14(2)27-22(25)12-16)23(30-24(15)28-13)21-11-17-9-18(26-3)6-7-20(17)29-21/h4-12,29H,1H2,2H3,(H,28,30).
What are the key properties of 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-isocyano-1H-indol-2-yl)-2-methylidene-1H-1,8-naphthyridine?
6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-isocyano-1H-indol-2-yl)-2-methylidene-1H-1,8-naphthyridine has a molecular weight of 409.88 g/mol, XLogP of 6.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-isocyano-1H-indol-2-yl)-2-methylidene-1H-1,8-naphthyridine is sourced from PubChem (CID 163563378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).