[2-ethyl-1-[2-(6-methyl-2-pyridinyl)-1,8-naphthyridin-4-yl]pyrrol-3-yl]methanimine

C21H19N5 — CID 123169713

IUPAC[2-ethyl-1-[2-(6-methyl-2-pyridinyl)-1,8-naphthyridin-4-yl]pyrrol-3-yl]methanimine
SMILES[H]/N=C/c1ccn(-c2cc(-c3cccc(C)n3)nc3ncccc23)c1CC
InChIInChI=1S/C21H19N5/c1-3-19-15(13-22)9-11-26(19)20-12-18(17-8-4-6-14(2)24-17)25-21-16(20)7-5-10-23-21/h4-13,22H,3H2,1-2H3/b22-13+
InChIKeyFFHHPSPNMWQVDW-LPYMAVHISA-N
MW341.42 g/mol
LogP4.35
Rot. Bonds4

About [2-ethyl-1-[2-(6-methyl-2-pyridinyl)-1,8-naphthyridin-4-yl]pyrrol-3-yl]methanimine

[2-ethyl-1-[2-(6-methyl-2-pyridinyl)-1,8-naphthyridin-4-yl]pyrrol-3-yl]methanimine (PubChem CID 123169713) has the molecular formula C21H19N5 and a molecular weight of 341.42 g/mol. Its IUPAC name is [2-ethyl-1-[2-(6-methyl-2-pyridinyl)-1,8-naphthyridin-4-yl]pyrrol-3-yl]methanimine.

Molecular Properties

Compound Name[2-ethyl-1-[2-(6-methyl-2-pyridinyl)-1,8-naphthyridin-4-yl]pyrrol-3-yl]methanimine
PubChem CID123169713
Molecular FormulaC21H19N5
Molecular Weight341.42 g/mol
Exact Mass341.16
IUPAC Name[2-ethyl-1-[2-(6-methyl-2-pyridinyl)-1,8-naphthyridin-4-yl]pyrrol-3-yl]methanimine
SMILES[H]/N=C/c1ccn(-c2cc(-c3cccc(C)n3)nc3ncccc23)c1CC
InChIInChI=1S/C21H19N5/c1-3-19-15(13-22)9-11-26(19)20-12-18(17-8-4-6-14(2)24-17)25-21-16(20)7-5-10-23-21/h4-13,22H,3H2,1-2H3/b22-13+
InChIKeyFFHHPSPNMWQVDW-LPYMAVHISA-N
XLogP4.35
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-ethyl-1-[2-(6-methyl-2-pyridinyl)-1,8-naphthyridin-4-yl]pyrrol-3-yl]methanimine?
The IUPAC name of [2-ethyl-1-[2-(6-methyl-2-pyridinyl)-1,8-naphthyridin-4-yl]pyrrol-3-yl]methanimine (CID 123169713) is [2-ethyl-1-[2-(6-methyl-2-pyridinyl)-1,8-naphthyridin-4-yl]pyrrol-3-yl]methanimine.
What is the SMILES notation for [2-ethyl-1-[2-(6-methyl-2-pyridinyl)-1,8-naphthyridin-4-yl]pyrrol-3-yl]methanimine?
The canonical SMILES for [2-ethyl-1-[2-(6-methyl-2-pyridinyl)-1,8-naphthyridin-4-yl]pyrrol-3-yl]methanimine is [H]/N=C/c1ccn(-c2cc(-c3cccc(C)n3)nc3ncccc23)c1CC.
What is the InChIKey of [2-ethyl-1-[2-(6-methyl-2-pyridinyl)-1,8-naphthyridin-4-yl]pyrrol-3-yl]methanimine?
The InChIKey is FFHHPSPNMWQVDW-LPYMAVHISA-N. The full InChI is InChI=1S/C21H19N5/c1-3-19-15(13-22)9-11-26(19)20-12-18(17-8-4-6-14(2)24-17)25-21-16(20)7-5-10-23-21/h4-13,22H,3H2,1-2H3/b22-13+.
What are the key properties of [2-ethyl-1-[2-(6-methyl-2-pyridinyl)-1,8-naphthyridin-4-yl]pyrrol-3-yl]methanimine?
[2-ethyl-1-[2-(6-methyl-2-pyridinyl)-1,8-naphthyridin-4-yl]pyrrol-3-yl]methanimine has a molecular weight of 341.42 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-1-[2-(6-methyl-2-pyridinyl)-1,8-naphthyridin-4-yl]pyrrol-3-yl]methanimine is sourced from PubChem (CID 123169713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).