6-(3-methoxyphenyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde

C28H30N4O2 — CID 174612068

IUPAC6-(3-methoxyphenyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
SMILESCOc1cccc(-c2cc3c(c(Nc4ccc(C5CCN(C)CC5)cc4)n2)C(C=O)NC=C3)c1
InChIInChI=1S/C28H30N4O2/c1-32-14-11-20(12-15-32)19-6-8-23(9-7-19)30-28-27-22(10-13-29-26(27)18-33)17-25(31-28)21-4-3-5-24(16-21)34-2/h3-10,13,16-18,20,26,29H,11-12,14-15H2,1-2H3,(H,30,31)
InChIKeyGSTLVAZNWIJZHG-UHFFFAOYSA-N
MW454.57 g/mol
LogP5.12
Rot. Bonds6

About 6-(3-methoxyphenyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde

6-(3-methoxyphenyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde (PubChem CID 174612068) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
PubChem CID174612068
Molecular FormulaC28H30N4O2
Molecular Weight454.57 g/mol
Exact Mass454.24
IUPAC Name6-(3-methoxyphenyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
SMILESCOc1cccc(-c2cc3c(c(Nc4ccc(C5CCN(C)CC5)cc4)n2)C(C=O)NC=C3)c1
InChIInChI=1S/C28H30N4O2/c1-32-14-11-20(12-15-32)19-6-8-23(9-7-19)30-28-27-22(10-13-29-26(27)18-33)17-25(31-28)21-4-3-5-24(16-21)34-2/h3-10,13,16-18,20,26,29H,11-12,14-15H2,1-2H3,(H,30,31)
InChIKeyGSTLVAZNWIJZHG-UHFFFAOYSA-N
XLogP5.12
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(2-aminopyrimidin-5-yl)-8-[4-(1-methylpiperidin-4-yl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174612113
3-(3-methoxyphenyl)-N-[4-(1-methylpiperidin-4-yl)phenyl]-7,8-dihydro-2,7-naphthyridin-1-amine
CID 68613652
6-(3-hydroxyphenyl)-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174626845
6-(2-methoxypyrimidin-5-yl)-8-[3-methyl-4-(1-methylpiperidin-4-yl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174626784
8-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-6-(2-methoxypyrimidin-5-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 175269441
8-[4-(1-acetylpiperidin-4-yl)anilino]-6-pyrimidin-5-yl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 175269454
8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(2-aminopyrimidin-5-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174612195
6-[2-(methylamino)pyrimidin-5-yl]-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 175269497
8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(5-amino-6-methoxypyrazin-2-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174612162
8-(4-morpholin-4-ylanilino)-6-phenyl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174626645
8-[4-(4-methylpiperazin-1-yl)anilino]-6-(1-piperidin-4-ylpyrazol-4-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174626679
6-(2-aminoethylamino)-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174612355

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The IUPAC name of 6-(3-methoxyphenyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde (CID 174612068) is 6-(3-methoxyphenyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde.
What is the SMILES notation for 6-(3-methoxyphenyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The canonical SMILES for 6-(3-methoxyphenyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde is COc1cccc(-c2cc3c(c(Nc4ccc(C5CCN(C)CC5)cc4)n2)C(C=O)NC=C3)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The InChIKey is GSTLVAZNWIJZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2/c1-32-14-11-20(12-15-32)19-6-8-23(9-7-19)30-28-27-22(10-13-29-26(27)18-33)17-25(31-28)21-4-3-5-24(16-21)34-2/h3-10,13,16-18,20,26,29H,11-12,14-15H2,1-2H3,(H,30,31).
What are the key properties of 6-(3-methoxyphenyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
6-(3-methoxyphenyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde has a molecular weight of 454.57 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde is sourced from PubChem (CID 174612068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).