1-[7-chloro-3-(2-chloro-3,5-dimethoxy-6-propylphenyl)-2,6-naphthyridin-1-yl]pyrrolidine-3-carbonitrile

C24H24Cl2N4O2 — CID 142380893

IUPAC1-[7-chloro-3-(2-chloro-3,5-dimethoxy-6-propylphenyl)-2,6-naphthyridin-1-yl]pyrrolidine-3-carbonitrile
SMILESCCCc1c(OC)cc(OC)c(Cl)c1-c1cc2cnc(Cl)cc2c(N2CCC(C#N)C2)n1
InChIInChI=1S/C24H24Cl2N4O2/c1-4-5-16-19(31-2)10-20(32-3)23(26)22(16)18-8-15-12-28-21(25)9-17(15)24(29-18)30-7-6-14(11-27)13-30/h8-10,12,14H,4-7,13H2,1-3H3
InChIKeyXGSZFCFOAZGDQO-UHFFFAOYSA-N
MW471.39 g/mol
LogP5.92
Rot. Bonds6

About 1-[7-chloro-3-(2-chloro-3,5-dimethoxy-6-propylphenyl)-2,6-naphthyridin-1-yl]pyrrolidine-3-carbonitrile

1-[7-chloro-3-(2-chloro-3,5-dimethoxy-6-propylphenyl)-2,6-naphthyridin-1-yl]pyrrolidine-3-carbonitrile (PubChem CID 142380893) has the molecular formula C24H24Cl2N4O2 and a molecular weight of 471.39 g/mol. Its IUPAC name is 1-[7-chloro-3-(2-chloro-3,5-dimethoxy-6-propylphenyl)-2,6-naphthyridin-1-yl]pyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name1-[7-chloro-3-(2-chloro-3,5-dimethoxy-6-propylphenyl)-2,6-naphthyridin-1-yl]pyrrolidine-3-carbonitrile
PubChem CID142380893
Molecular FormulaC24H24Cl2N4O2
Molecular Weight471.39 g/mol
Exact Mass470.13
IUPAC Name1-[7-chloro-3-(2-chloro-3,5-dimethoxy-6-propylphenyl)-2,6-naphthyridin-1-yl]pyrrolidine-3-carbonitrile
SMILESCCCc1c(OC)cc(OC)c(Cl)c1-c1cc2cnc(Cl)cc2c(N2CCC(C#N)C2)n1
InChIInChI=1S/C24H24Cl2N4O2/c1-4-5-16-19(31-2)10-20(32-3)23(26)22(16)18-8-15-12-28-21(25)9-17(15)24(29-18)30-7-6-14(11-27)13-30/h8-10,12,14H,4-7,13H2,1-3H3
InChIKeyXGSZFCFOAZGDQO-UHFFFAOYSA-N
XLogP5.92
TPSA71.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.39
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 1-[7-chloro-3-(2-chloro-3,5-dimethoxy-6-propylphenyl)-2,6-naphthyridin-1-yl]pyrrolidine-3-carbonitrile?
The IUPAC name of 1-[7-chloro-3-(2-chloro-3,5-dimethoxy-6-propylphenyl)-2,6-naphthyridin-1-yl]pyrrolidine-3-carbonitrile (CID 142380893) is 1-[7-chloro-3-(2-chloro-3,5-dimethoxy-6-propylphenyl)-2,6-naphthyridin-1-yl]pyrrolidine-3-carbonitrile.
What is the SMILES notation for 1-[7-chloro-3-(2-chloro-3,5-dimethoxy-6-propylphenyl)-2,6-naphthyridin-1-yl]pyrrolidine-3-carbonitrile?
The canonical SMILES for 1-[7-chloro-3-(2-chloro-3,5-dimethoxy-6-propylphenyl)-2,6-naphthyridin-1-yl]pyrrolidine-3-carbonitrile is CCCc1c(OC)cc(OC)c(Cl)c1-c1cc2cnc(Cl)cc2c(N2CCC(C#N)C2)n1.
What is the InChIKey of 1-[7-chloro-3-(2-chloro-3,5-dimethoxy-6-propylphenyl)-2,6-naphthyridin-1-yl]pyrrolidine-3-carbonitrile?
The InChIKey is XGSZFCFOAZGDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N4O2/c1-4-5-16-19(31-2)10-20(32-3)23(26)22(16)18-8-15-12-28-21(25)9-17(15)24(29-18)30-7-6-14(11-27)13-30/h8-10,12,14H,4-7,13H2,1-3H3.
What are the key properties of 1-[7-chloro-3-(2-chloro-3,5-dimethoxy-6-propylphenyl)-2,6-naphthyridin-1-yl]pyrrolidine-3-carbonitrile?
1-[7-chloro-3-(2-chloro-3,5-dimethoxy-6-propylphenyl)-2,6-naphthyridin-1-yl]pyrrolidine-3-carbonitrile has a molecular weight of 471.39 g/mol, XLogP of 5.92, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-chloro-3-(2-chloro-3,5-dimethoxy-6-propylphenyl)-2,6-naphthyridin-1-yl]pyrrolidine-3-carbonitrile is sourced from PubChem (CID 142380893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).