3-(6-methoxypyrimidin-4-yl)-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridin-1-amine

C23H24N6O2 — CID 68612814

IUPAC3-(6-methoxypyrimidin-4-yl)-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridin-1-amine
SMILESCOc1cc(-c2cc3c(c(Nc4ccc(N5CCOCC5)cc4)n2)CNC=C3)ncn1
InChIInChI=1S/C23H24N6O2/c1-30-22-13-20(25-15-26-22)21-12-16-6-7-24-14-19(16)23(28-21)27-17-2-4-18(5-3-17)29-8-10-31-11-9-29/h2-7,12-13,15,24H,8-11,14H2,1H3,(H,27,28)
InChIKeyGDDCGTMTWZVXEN-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.20
Rot. Bonds5

About 3-(6-methoxypyrimidin-4-yl)-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridin-1-amine

3-(6-methoxypyrimidin-4-yl)-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridin-1-amine (PubChem CID 68612814) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 3-(6-methoxypyrimidin-4-yl)-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridin-1-amine.

Molecular Properties

Compound Name3-(6-methoxypyrimidin-4-yl)-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridin-1-amine
PubChem CID68612814
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name3-(6-methoxypyrimidin-4-yl)-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridin-1-amine
SMILESCOc1cc(-c2cc3c(c(Nc4ccc(N5CCOCC5)cc4)n2)CNC=C3)ncn1
InChIInChI=1S/C23H24N6O2/c1-30-22-13-20(25-15-26-22)21-12-16-6-7-24-14-19(16)23(28-21)27-17-2-4-18(5-3-17)29-8-10-31-11-9-29/h2-7,12-13,15,24H,8-11,14H2,1H3,(H,27,28)
InChIKeyGDDCGTMTWZVXEN-UHFFFAOYSA-N
XLogP3.20
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxypyrimidin-4-yl)-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridin-1-amine?
The IUPAC name of 3-(6-methoxypyrimidin-4-yl)-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridin-1-amine (CID 68612814) is 3-(6-methoxypyrimidin-4-yl)-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridin-1-amine.
What is the SMILES notation for 3-(6-methoxypyrimidin-4-yl)-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridin-1-amine?
The canonical SMILES for 3-(6-methoxypyrimidin-4-yl)-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridin-1-amine is COc1cc(-c2cc3c(c(Nc4ccc(N5CCOCC5)cc4)n2)CNC=C3)ncn1.
What is the InChIKey of 3-(6-methoxypyrimidin-4-yl)-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridin-1-amine?
The InChIKey is GDDCGTMTWZVXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-30-22-13-20(25-15-26-22)21-12-16-6-7-24-14-19(16)23(28-21)27-17-2-4-18(5-3-17)29-8-10-31-11-9-29/h2-7,12-13,15,24H,8-11,14H2,1H3,(H,27,28).
What are the key properties of 3-(6-methoxypyrimidin-4-yl)-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridin-1-amine?
3-(6-methoxypyrimidin-4-yl)-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridin-1-amine has a molecular weight of 416.49 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxypyrimidin-4-yl)-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-2,7-naphthyridin-1-amine is sourced from PubChem (CID 68612814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).