N-[8-(methylamino)-5-[2-[4-(6-oxopyridazin-1-yl)phenyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

C25H20N6O2 — CID 170677868

IUPACN-[8-(methylamino)-5-[2-[4-(6-oxopyridazin-1-yl)phenyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCNc1ncc(C#Cc2ccc(-n3ncccc3=O)cc2)c2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C25H20N6O2/c1-26-24-21-15-27-22(30-25(33)17-8-9-17)13-20(21)18(14-28-24)7-4-16-5-10-19(11-6-16)31-23(32)3-2-12-29-31/h2-3,5-6,10-15,17H,8-9H2,1H3,(H,26,28)(H,27,30,33)
InChIKeyIFQOROHGZVOCRD-UHFFFAOYSA-N
MW436.48 g/mol
LogP2.97
Rot. Bonds4

About N-[8-(methylamino)-5-[2-[4-(6-oxopyridazin-1-yl)phenyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

N-[8-(methylamino)-5-[2-[4-(6-oxopyridazin-1-yl)phenyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 170677868) has the molecular formula C25H20N6O2 and a molecular weight of 436.48 g/mol. Its IUPAC name is N-[8-(methylamino)-5-[2-[4-(6-oxopyridazin-1-yl)phenyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[8-(methylamino)-5-[2-[4-(6-oxopyridazin-1-yl)phenyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
PubChem CID170677868
Molecular FormulaC25H20N6O2
Molecular Weight436.48 g/mol
Exact Mass436.16
IUPAC NameN-[8-(methylamino)-5-[2-[4-(6-oxopyridazin-1-yl)phenyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCNc1ncc(C#Cc2ccc(-n3ncccc3=O)cc2)c2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C25H20N6O2/c1-26-24-21-15-27-22(30-25(33)17-8-9-17)13-20(21)18(14-28-24)7-4-16-5-10-19(11-6-16)31-23(32)3-2-12-29-31/h2-3,5-6,10-15,17H,8-9H2,1H3,(H,26,28)(H,27,30,33)
InChIKeyIFQOROHGZVOCRD-UHFFFAOYSA-N
XLogP2.97
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[8-(methylamino)-5-[2-[4-(6-oxopyridazin-1-yl)phenyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide 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 N-[8-(methylamino)-5-[2-[4-(6-oxopyridazin-1-yl)phenyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[8-(methylamino)-5-[2-[4-(6-oxopyridazin-1-yl)phenyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (CID 170677868) is N-[8-(methylamino)-5-[2-[4-(6-oxopyridazin-1-yl)phenyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[8-(methylamino)-5-[2-[4-(6-oxopyridazin-1-yl)phenyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[8-(methylamino)-5-[2-[4-(6-oxopyridazin-1-yl)phenyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is CNc1ncc(C#Cc2ccc(-n3ncccc3=O)cc2)c2cc(NC(=O)C3CC3)ncc12.
What is the InChIKey of N-[8-(methylamino)-5-[2-[4-(6-oxopyridazin-1-yl)phenyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The InChIKey is IFQOROHGZVOCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O2/c1-26-24-21-15-27-22(30-25(33)17-8-9-17)13-20(21)18(14-28-24)7-4-16-5-10-19(11-6-16)31-23(32)3-2-12-29-31/h2-3,5-6,10-15,17H,8-9H2,1H3,(H,26,28)(H,27,30,33).
What are the key properties of N-[8-(methylamino)-5-[2-[4-(6-oxopyridazin-1-yl)phenyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
N-[8-(methylamino)-5-[2-[4-(6-oxopyridazin-1-yl)phenyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 436.48 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(methylamino)-5-[2-[4-(6-oxopyridazin-1-yl)phenyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 170677868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).