6-(6-amino-3-pyridinyl)-8-[(4-morpholin-4-ylphenyl)methylamino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde

C25H26N6O2 — CID 174626623

IUPAC6-(6-amino-3-pyridinyl)-8-[(4-morpholin-4-ylphenyl)methylamino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
SMILESNc1ccc(-c2cc3c(c(NCc4ccc(N5CCOCC5)cc4)n2)C(C=O)NC=C3)cn1
InChIInChI=1S/C25H26N6O2/c26-23-6-3-19(15-28-23)21-13-18-7-8-27-22(16-32)24(18)25(30-21)29-14-17-1-4-20(5-2-17)31-9-11-33-12-10-31/h1-8,13,15-16,22,27H,9-12,14H2,(H2,26,28)(H,29,30)
InChIKeyRWOUTNOHFUMHPV-UHFFFAOYSA-N
MW442.52 g/mol
LogP2.99
Rot. Bonds6

About 6-(6-amino-3-pyridinyl)-8-[(4-morpholin-4-ylphenyl)methylamino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde

6-(6-amino-3-pyridinyl)-8-[(4-morpholin-4-ylphenyl)methylamino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde (PubChem CID 174626623) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 6-(6-amino-3-pyridinyl)-8-[(4-morpholin-4-ylphenyl)methylamino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde.

Molecular Properties

Compound Name6-(6-amino-3-pyridinyl)-8-[(4-morpholin-4-ylphenyl)methylamino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
PubChem CID174626623
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name6-(6-amino-3-pyridinyl)-8-[(4-morpholin-4-ylphenyl)methylamino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde
SMILESNc1ccc(-c2cc3c(c(NCc4ccc(N5CCOCC5)cc4)n2)C(C=O)NC=C3)cn1
InChIInChI=1S/C25H26N6O2/c26-23-6-3-19(15-28-23)21-13-18-7-8-27-22(16-32)24(18)25(30-21)29-14-17-1-4-20(5-2-17)31-9-11-33-12-10-31/h1-8,13,15-16,22,27H,9-12,14H2,(H2,26,28)(H,29,30)
InChIKeyRWOUTNOHFUMHPV-UHFFFAOYSA-N
XLogP2.99
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 6-(6-amino-3-pyridinyl)-8-[(4-morpholin-4-ylphenyl)methylamino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(6-amino-3-pyridinyl)-8-[(4-morpholin-4-ylphenyl)methylamino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The IUPAC name of 6-(6-amino-3-pyridinyl)-8-[(4-morpholin-4-ylphenyl)methylamino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde (CID 174626623) is 6-(6-amino-3-pyridinyl)-8-[(4-morpholin-4-ylphenyl)methylamino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde.
What is the SMILES notation for 6-(6-amino-3-pyridinyl)-8-[(4-morpholin-4-ylphenyl)methylamino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The canonical SMILES for 6-(6-amino-3-pyridinyl)-8-[(4-morpholin-4-ylphenyl)methylamino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde is Nc1ccc(-c2cc3c(c(NCc4ccc(N5CCOCC5)cc4)n2)C(C=O)NC=C3)cn1.
What is the InChIKey of 6-(6-amino-3-pyridinyl)-8-[(4-morpholin-4-ylphenyl)methylamino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
The InChIKey is RWOUTNOHFUMHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c26-23-6-3-19(15-28-23)21-13-18-7-8-27-22(16-32)24(18)25(30-21)29-14-17-1-4-20(5-2-17)31-9-11-33-12-10-31/h1-8,13,15-16,22,27H,9-12,14H2,(H2,26,28)(H,29,30).
What are the key properties of 6-(6-amino-3-pyridinyl)-8-[(4-morpholin-4-ylphenyl)methylamino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde?
6-(6-amino-3-pyridinyl)-8-[(4-morpholin-4-ylphenyl)methylamino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde has a molecular weight of 442.52 g/mol, XLogP of 2.99, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-amino-3-pyridinyl)-8-[(4-morpholin-4-ylphenyl)methylamino]-1,2-dihydro-2,7-naphthyridine-1-carbaldehyde is sourced from PubChem (CID 174626623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).