2-chloro-5-[(4-oxo-3H-1,7-naphthyridin-2-yl)methoxy]-N-(piperidin-4-ylmethyl)benzamide

C22H23ClN4O3 — CID 149332250

IUPAC2-chloro-5-[(4-oxo-3H-1,7-naphthyridin-2-yl)methoxy]-N-(piperidin-4-ylmethyl)benzamide
SMILESO=C(NCC1CCNCC1)c1cc(OCC2=Nc3cnccc3C(=O)C2)ccc1Cl
InChIInChI=1S/C22H23ClN4O3/c23-19-2-1-16(10-18(19)22(29)26-11-14-3-6-24-7-4-14)30-13-15-9-21(28)17-5-8-25-12-20(17)27-15/h1-2,5,8,10,12,14,24H,3-4,6-7,9,11,13H2,(H,26,29)
InChIKeyYCNUNTSWFMQLQM-UHFFFAOYSA-N
MW426.90 g/mol
LogP3.20
Rot. Bonds6

About 2-chloro-5-[(4-oxo-3H-1,7-naphthyridin-2-yl)methoxy]-N-(piperidin-4-ylmethyl)benzamide

2-chloro-5-[(4-oxo-3H-1,7-naphthyridin-2-yl)methoxy]-N-(piperidin-4-ylmethyl)benzamide (PubChem CID 149332250) has the molecular formula C22H23ClN4O3 and a molecular weight of 426.90 g/mol. Its IUPAC name is 2-chloro-5-[(4-oxo-3H-1,7-naphthyridin-2-yl)methoxy]-N-(piperidin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[(4-oxo-3H-1,7-naphthyridin-2-yl)methoxy]-N-(piperidin-4-ylmethyl)benzamide
PubChem CID149332250
Molecular FormulaC22H23ClN4O3
Molecular Weight426.90 g/mol
Exact Mass426.15
IUPAC Name2-chloro-5-[(4-oxo-3H-1,7-naphthyridin-2-yl)methoxy]-N-(piperidin-4-ylmethyl)benzamide
SMILESO=C(NCC1CCNCC1)c1cc(OCC2=Nc3cnccc3C(=O)C2)ccc1Cl
InChIInChI=1S/C22H23ClN4O3/c23-19-2-1-16(10-18(19)22(29)26-11-14-3-6-24-7-4-14)30-13-15-9-21(28)17-5-8-25-12-20(17)27-15/h1-2,5,8,10,12,14,24H,3-4,6-7,9,11,13H2,(H,26,29)
InChIKeyYCNUNTSWFMQLQM-UHFFFAOYSA-N
XLogP3.20
TPSA92.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-oxo-3H-1,7-naphthyridin-2-yl)methoxy]-N-(piperidin-4-ylmethyl)benzamide?
The IUPAC name of 2-chloro-5-[(4-oxo-3H-1,7-naphthyridin-2-yl)methoxy]-N-(piperidin-4-ylmethyl)benzamide (CID 149332250) is 2-chloro-5-[(4-oxo-3H-1,7-naphthyridin-2-yl)methoxy]-N-(piperidin-4-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-5-[(4-oxo-3H-1,7-naphthyridin-2-yl)methoxy]-N-(piperidin-4-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-5-[(4-oxo-3H-1,7-naphthyridin-2-yl)methoxy]-N-(piperidin-4-ylmethyl)benzamide is O=C(NCC1CCNCC1)c1cc(OCC2=Nc3cnccc3C(=O)C2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(4-oxo-3H-1,7-naphthyridin-2-yl)methoxy]-N-(piperidin-4-ylmethyl)benzamide?
The InChIKey is YCNUNTSWFMQLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3/c23-19-2-1-16(10-18(19)22(29)26-11-14-3-6-24-7-4-14)30-13-15-9-21(28)17-5-8-25-12-20(17)27-15/h1-2,5,8,10,12,14,24H,3-4,6-7,9,11,13H2,(H,26,29).
What are the key properties of 2-chloro-5-[(4-oxo-3H-1,7-naphthyridin-2-yl)methoxy]-N-(piperidin-4-ylmethyl)benzamide?
2-chloro-5-[(4-oxo-3H-1,7-naphthyridin-2-yl)methoxy]-N-(piperidin-4-ylmethyl)benzamide has a molecular weight of 426.90 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4-oxo-3H-1,7-naphthyridin-2-yl)methoxy]-N-(piperidin-4-ylmethyl)benzamide is sourced from PubChem (CID 149332250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).