N-cyclopropyl-4-oxo-1-[3-(2-pyridin-3-ylethynyl)phenyl]-1,8-naphthyridine-3-carboxamide

C25H18N4O2 — CID 10136016

IUPACN-cyclopropyl-4-oxo-1-[3-(2-pyridin-3-ylethynyl)phenyl]-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC1CC1)c1cn(-c2cccc(C#Cc3cccnc3)c2)c2ncccc2c1=O
InChIInChI=1S/C25H18N4O2/c30-23-21-7-3-13-27-24(21)29(16-22(23)25(31)28-19-10-11-19)20-6-1-4-17(14-20)8-9-18-5-2-12-26-15-18/h1-7,12-16,19H,10-11H2,(H,28,31)
InChIKeyJQKSFYBCJSWDGS-UHFFFAOYSA-N
MW406.45 g/mol
LogP3.07
Rot. Bonds3

About N-cyclopropyl-4-oxo-1-[3-(2-pyridin-3-ylethynyl)phenyl]-1,8-naphthyridine-3-carboxamide

N-cyclopropyl-4-oxo-1-[3-(2-pyridin-3-ylethynyl)phenyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 10136016) has the molecular formula C25H18N4O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is N-cyclopropyl-4-oxo-1-[3-(2-pyridin-3-ylethynyl)phenyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-oxo-1-[3-(2-pyridin-3-ylethynyl)phenyl]-1,8-naphthyridine-3-carboxamide
PubChem CID10136016
Molecular FormulaC25H18N4O2
Molecular Weight406.45 g/mol
Exact Mass406.14
IUPAC NameN-cyclopropyl-4-oxo-1-[3-(2-pyridin-3-ylethynyl)phenyl]-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC1CC1)c1cn(-c2cccc(C#Cc3cccnc3)c2)c2ncccc2c1=O
InChIInChI=1S/C25H18N4O2/c30-23-21-7-3-13-27-24(21)29(16-22(23)25(31)28-19-10-11-19)20-6-1-4-17(14-20)8-9-18-5-2-12-26-15-18/h1-7,12-16,19H,10-11H2,(H,28,31)
InChIKeyJQKSFYBCJSWDGS-UHFFFAOYSA-N
XLogP3.07
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-oxo-1-[3-(2-pyridin-3-ylethynyl)phenyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-4-oxo-1-[3-(2-pyridin-3-ylethynyl)phenyl]-1,8-naphthyridine-3-carboxamide (CID 10136016) is N-cyclopropyl-4-oxo-1-[3-(2-pyridin-3-ylethynyl)phenyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-oxo-1-[3-(2-pyridin-3-ylethynyl)phenyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-4-oxo-1-[3-(2-pyridin-3-ylethynyl)phenyl]-1,8-naphthyridine-3-carboxamide is O=C(NC1CC1)c1cn(-c2cccc(C#Cc3cccnc3)c2)c2ncccc2c1=O.
What is the InChIKey of N-cyclopropyl-4-oxo-1-[3-(2-pyridin-3-ylethynyl)phenyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is JQKSFYBCJSWDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4O2/c30-23-21-7-3-13-27-24(21)29(16-22(23)25(31)28-19-10-11-19)20-6-1-4-17(14-20)8-9-18-5-2-12-26-15-18/h1-7,12-16,19H,10-11H2,(H,28,31).
What are the key properties of N-cyclopropyl-4-oxo-1-[3-(2-pyridin-3-ylethynyl)phenyl]-1,8-naphthyridine-3-carboxamide?
N-cyclopropyl-4-oxo-1-[3-(2-pyridin-3-ylethynyl)phenyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 406.45 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-oxo-1-[3-(2-pyridin-3-ylethynyl)phenyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 10136016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).