6-(6-methoxypyrazin-2-yl)-8-[4-(2-methyl-4-pyridinyl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde

C26H22N6O2 — CID 174626567

IUPAC6-(6-methoxypyrazin-2-yl)-8-[4-(2-methyl-4-pyridinyl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
SMILESCOc1cncc(-c2cc3c(c(Nc4ccc(-c5ccnc(C)c5)cc4)n2)C(C=O)NC=C3)n1
InChIInChI=1S/C26H22N6O2/c1-16-11-18(7-9-28-16)17-3-5-20(6-4-17)30-26-25-19(8-10-29-23(25)15-33)12-21(32-26)22-13-27-14-24(31-22)34-2/h3-15,23,29H,1-2H3,(H,30,32)
InChIKeyJFURHZVJIDCYQR-UHFFFAOYSA-N
MW450.50 g/mol
LogP4.48
Rot. Bonds6

About 6-(6-methoxypyrazin-2-yl)-8-[4-(2-methyl-4-pyridinyl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde

6-(6-methoxypyrazin-2-yl)-8-[4-(2-methyl-4-pyridinyl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde (PubChem CID 174626567) has the molecular formula C26H22N6O2 and a molecular weight of 450.50 g/mol. Its IUPAC name is 6-(6-methoxypyrazin-2-yl)-8-[4-(2-methyl-4-pyridinyl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde.

Molecular Properties

Compound Name6-(6-methoxypyrazin-2-yl)-8-[4-(2-methyl-4-pyridinyl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
PubChem CID174626567
Molecular FormulaC26H22N6O2
Molecular Weight450.50 g/mol
Exact Mass450.18
IUPAC Name6-(6-methoxypyrazin-2-yl)-8-[4-(2-methyl-4-pyridinyl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
SMILESCOc1cncc(-c2cc3c(c(Nc4ccc(-c5ccnc(C)c5)cc4)n2)C(C=O)NC=C3)n1
InChIInChI=1S/C26H22N6O2/c1-16-11-18(7-9-28-16)17-3-5-20(6-4-17)30-26-25-19(8-10-29-23(25)15-33)12-21(32-26)22-13-27-14-24(31-22)34-2/h3-15,23,29H,1-2H3,(H,30,32)
InChIKeyJFURHZVJIDCYQR-UHFFFAOYSA-N
XLogP4.48
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(5-amino-6-methoxypyrazin-2-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174612162
6-(2-methoxypyrimidin-5-yl)-8-[3-methyl-4-(1-methylpiperidin-4-yl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174626784
6-(3,5-dimethylphenyl)-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174612465
6-(4-fluorophenyl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174626825
6-[2-(methylamino)pyrimidin-5-yl]-8-(4-piperidin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 175269497
6-(3-methoxyphenyl)-8-[4-(1-methylpiperidin-4-yl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174612068
8-(4-morpholin-4-ylanilino)-6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174626868
8-(4-morpholin-4-ylanilino)-6-phenyl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174626645
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
6-pyridin-3-yl-8-[3-(trifluoromethyl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 175269555
8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(2-aminopyrimidin-5-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174612195

Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxypyrazin-2-yl)-8-[4-(2-methyl-4-pyridinyl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The IUPAC name of 6-(6-methoxypyrazin-2-yl)-8-[4-(2-methyl-4-pyridinyl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde (CID 174626567) is 6-(6-methoxypyrazin-2-yl)-8-[4-(2-methyl-4-pyridinyl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde.
What is the SMILES notation for 6-(6-methoxypyrazin-2-yl)-8-[4-(2-methyl-4-pyridinyl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The canonical SMILES for 6-(6-methoxypyrazin-2-yl)-8-[4-(2-methyl-4-pyridinyl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde is COc1cncc(-c2cc3c(c(Nc4ccc(-c5ccnc(C)c5)cc4)n2)C(C=O)NC=C3)n1.
What is the InChIKey of 6-(6-methoxypyrazin-2-yl)-8-[4-(2-methyl-4-pyridinyl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The InChIKey is JFURHZVJIDCYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O2/c1-16-11-18(7-9-28-16)17-3-5-20(6-4-17)30-26-25-19(8-10-29-23(25)15-33)12-21(32-26)22-13-27-14-24(31-22)34-2/h3-15,23,29H,1-2H3,(H,30,32).
What are the key properties of 6-(6-methoxypyrazin-2-yl)-8-[4-(2-methyl-4-pyridinyl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
6-(6-methoxypyrazin-2-yl)-8-[4-(2-methyl-4-pyridinyl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde has a molecular weight of 450.50 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxypyrazin-2-yl)-8-[4-(2-methyl-4-pyridinyl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde is sourced from PubChem (CID 174626567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).