6-(2-methylpyrimidin-5-yl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde

C24H24N6O2 — CID 175269437

IUPAC6-(2-methylpyrimidin-5-yl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
SMILESCc1ncc(-c2cc3c(c(Nc4ccc(N5CCOCC5)cc4)n2)C(C=O)NC=C3)cn1
InChIInChI=1S/C24H24N6O2/c1-16-26-13-18(14-27-16)21-12-17-6-7-25-22(15-31)23(17)24(29-21)28-19-2-4-20(5-3-19)30-8-10-32-11-9-30/h2-7,12-15,22,25H,8-11H2,1H3,(H,28,29)
InChIKeyLKXBOVUHUGTGSF-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.24
Rot. Bonds5

About 6-(2-methylpyrimidin-5-yl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde

6-(2-methylpyrimidin-5-yl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde (PubChem CID 175269437) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 6-(2-methylpyrimidin-5-yl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde.

Molecular Properties

Compound Name6-(2-methylpyrimidin-5-yl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
PubChem CID175269437
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name6-(2-methylpyrimidin-5-yl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
SMILESCc1ncc(-c2cc3c(c(Nc4ccc(N5CCOCC5)cc4)n2)C(C=O)NC=C3)cn1
InChIInChI=1S/C24H24N6O2/c1-16-26-13-18(14-27-16)21-12-17-6-7-25-22(15-31)23(17)24(29-21)28-19-2-4-20(5-3-19)30-8-10-32-11-9-30/h2-7,12-15,22,25H,8-11H2,1H3,(H,28,29)
InChIKeyLKXBOVUHUGTGSF-UHFFFAOYSA-N
XLogP3.24
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

8-(4-morpholin-4-ylanilino)-6-phenyl-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174626645
6-(4-fluorophenyl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174626825
8-(4-morpholin-4-ylanilino)-6-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174626868
6-(5-ethoxy-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 175269453
6-(6-fluoro-2-methyl-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174612416
6-[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174612072
6-(2-butylpyrazol-3-yl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174626580
6-(6-amino-3-pyridinyl)-8-[(4-morpholin-4-ylphenyl)methylamino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174626623
6-(2-amino-6-methylpyrimidin-4-yl)-8-(3-methyl-4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174612052
6-(2-aminopyrimidin-5-yl)-8-[4-(1-methylpiperidin-4-yl)anilino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174612113
8-[4-(4-methylpiperazin-1-yl)anilino]-6-(1-piperidin-4-ylpyrazol-4-yl)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
CID 174626679
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-(2-methylpyrimidin-5-yl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The IUPAC name of 6-(2-methylpyrimidin-5-yl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde (CID 175269437) is 6-(2-methylpyrimidin-5-yl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde.
What is the SMILES notation for 6-(2-methylpyrimidin-5-yl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The canonical SMILES for 6-(2-methylpyrimidin-5-yl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde is Cc1ncc(-c2cc3c(c(Nc4ccc(N5CCOCC5)cc4)n2)C(C=O)NC=C3)cn1.
What is the InChIKey of 6-(2-methylpyrimidin-5-yl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The InChIKey is LKXBOVUHUGTGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-16-26-13-18(14-27-16)21-12-17-6-7-25-22(15-31)23(17)24(29-21)28-19-2-4-20(5-3-19)30-8-10-32-11-9-30/h2-7,12-15,22,25H,8-11H2,1H3,(H,28,29).
What are the key properties of 6-(2-methylpyrimidin-5-yl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
6-(2-methylpyrimidin-5-yl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde has a molecular weight of 428.50 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpyrimidin-5-yl)-8-(4-morpholin-4-ylanilino)-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde is sourced from PubChem (CID 175269437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).