N-cyclopropyl-4-oxo-1-(3-thiophen-3-ylphenyl)-1,8-naphthyridine-3-carboxamide

C22H17N3O2S — CID 10178284

IUPACN-cyclopropyl-4-oxo-1-(3-thiophen-3-ylphenyl)-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC1CC1)c1cn(-c2cccc(-c3ccsc3)c2)c2ncccc2c1=O
InChIInChI=1S/C22H17N3O2S/c26-20-18-5-2-9-23-21(18)25(12-19(20)22(27)24-16-6-7-16)17-4-1-3-14(11-17)15-8-10-28-13-15/h1-5,8-13,16H,6-7H2,(H,24,27)
InChIKeyPYBWRBQUKSOBSX-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.01
Rot. Bonds4

About N-cyclopropyl-4-oxo-1-(3-thiophen-3-ylphenyl)-1,8-naphthyridine-3-carboxamide

N-cyclopropyl-4-oxo-1-(3-thiophen-3-ylphenyl)-1,8-naphthyridine-3-carboxamide (PubChem CID 10178284) has the molecular formula C22H17N3O2S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-cyclopropyl-4-oxo-1-(3-thiophen-3-ylphenyl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-oxo-1-(3-thiophen-3-ylphenyl)-1,8-naphthyridine-3-carboxamide
PubChem CID10178284
Molecular FormulaC22H17N3O2S
Molecular Weight387.46 g/mol
Exact Mass387.10
IUPAC NameN-cyclopropyl-4-oxo-1-(3-thiophen-3-ylphenyl)-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC1CC1)c1cn(-c2cccc(-c3ccsc3)c2)c2ncccc2c1=O
InChIInChI=1S/C22H17N3O2S/c26-20-18-5-2-9-23-21(18)25(12-19(20)22(27)24-16-6-7-16)17-4-1-3-14(11-17)15-8-10-28-13-15/h1-5,8-13,16H,6-7H2,(H,24,27)
InChIKeyPYBWRBQUKSOBSX-UHFFFAOYSA-N
XLogP4.01
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-oxo-1-(3-thiophen-3-ylphenyl)-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-4-oxo-1-(3-thiophen-3-ylphenyl)-1,8-naphthyridine-3-carboxamide (CID 10178284) is N-cyclopropyl-4-oxo-1-(3-thiophen-3-ylphenyl)-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-oxo-1-(3-thiophen-3-ylphenyl)-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-4-oxo-1-(3-thiophen-3-ylphenyl)-1,8-naphthyridine-3-carboxamide is O=C(NC1CC1)c1cn(-c2cccc(-c3ccsc3)c2)c2ncccc2c1=O.
What is the InChIKey of N-cyclopropyl-4-oxo-1-(3-thiophen-3-ylphenyl)-1,8-naphthyridine-3-carboxamide?
The InChIKey is PYBWRBQUKSOBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2S/c26-20-18-5-2-9-23-21(18)25(12-19(20)22(27)24-16-6-7-16)17-4-1-3-14(11-17)15-8-10-28-13-15/h1-5,8-13,16H,6-7H2,(H,24,27).
What are the key properties of N-cyclopropyl-4-oxo-1-(3-thiophen-3-ylphenyl)-1,8-naphthyridine-3-carboxamide?
N-cyclopropyl-4-oxo-1-(3-thiophen-3-ylphenyl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 387.46 g/mol, XLogP of 4.01, 4 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-thiophen-3-ylphenyl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 10178284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).