1-[2-(5-azaspiro[2.3]hexan-5-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide

C23H21ClN4O3 — CID 71766670

IUPAC1-[2-(5-azaspiro[2.3]hexan-5-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cc2cccnc2n(CC(=O)N2CC3(CC3)C2)c1=O
InChIInChI=1S/C23H21ClN4O3/c24-17-5-3-15(4-6-17)11-26-21(30)18-10-16-2-1-9-25-20(16)28(22(18)31)12-19(29)27-13-23(14-27)7-8-23/h1-6,9-10H,7-8,11-14H2,(H,26,30)
InChIKeyQXXZFXDCUHTDIZ-UHFFFAOYSA-N
MW436.90 g/mol
LogP2.60
Rot. Bonds5

About 1-[2-(5-azaspiro[2.3]hexan-5-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide

1-[2-(5-azaspiro[2.3]hexan-5-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 71766670) has the molecular formula C23H21ClN4O3 and a molecular weight of 436.90 g/mol. Its IUPAC name is 1-[2-(5-azaspiro[2.3]hexan-5-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(5-azaspiro[2.3]hexan-5-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID71766670
Molecular FormulaC23H21ClN4O3
Molecular Weight436.90 g/mol
Exact Mass436.13
IUPAC Name1-[2-(5-azaspiro[2.3]hexan-5-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cc2cccnc2n(CC(=O)N2CC3(CC3)C2)c1=O
InChIInChI=1S/C23H21ClN4O3/c24-17-5-3-15(4-6-17)11-26-21(30)18-10-16-2-1-9-25-20(16)28(22(18)31)12-19(29)27-13-23(14-27)7-8-23/h1-6,9-10H,7-8,11-14H2,(H,26,30)
InChIKeyQXXZFXDCUHTDIZ-UHFFFAOYSA-N
XLogP2.60
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-azaspiro[2.3]hexan-5-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-[2-(5-azaspiro[2.3]hexan-5-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (CID 71766670) is 1-[2-(5-azaspiro[2.3]hexan-5-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-[2-(5-azaspiro[2.3]hexan-5-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[2-(5-azaspiro[2.3]hexan-5-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is O=C(NCc1ccc(Cl)cc1)c1cc2cccnc2n(CC(=O)N2CC3(CC3)C2)c1=O.
What is the InChIKey of 1-[2-(5-azaspiro[2.3]hexan-5-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is QXXZFXDCUHTDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O3/c24-17-5-3-15(4-6-17)11-26-21(30)18-10-16-2-1-9-25-20(16)28(22(18)31)12-19(29)27-13-23(14-27)7-8-23/h1-6,9-10H,7-8,11-14H2,(H,26,30).
What are the key properties of 1-[2-(5-azaspiro[2.3]hexan-5-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
1-[2-(5-azaspiro[2.3]hexan-5-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 436.90 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-azaspiro[2.3]hexan-5-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 71766670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).