3-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide

C30H25ClFN5O — CID 53346154

IUPAC3-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
SMILESCN(C)CCNC(=O)c1cccc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)c1
InChIInChI=1S/C30H25ClFN5O/c1-37(2)12-11-35-30(38)20-6-3-5-19(13-20)21-14-22(18-33-17-21)25-16-28(26-15-23(31)8-9-27(26)32)36-29-24(25)7-4-10-34-29/h3-10,13-18H,11-12H2,1-2H3,(H,35,38)
InChIKeyUDOOFCRTNDEXTO-UHFFFAOYSA-N
MW526.02 g/mol
LogP6.11
Rot. Bonds7

About 3-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide

3-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide (PubChem CID 53346154) has the molecular formula C30H25ClFN5O and a molecular weight of 526.02 g/mol. Its IUPAC name is 3-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
PubChem CID53346154
Molecular FormulaC30H25ClFN5O
Molecular Weight526.02 g/mol
Exact Mass525.17
IUPAC Name3-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
SMILESCN(C)CCNC(=O)c1cccc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)c1
InChIInChI=1S/C30H25ClFN5O/c1-37(2)12-11-35-30(38)20-6-3-5-19(13-20)21-14-22(18-33-17-21)25-16-28(26-15-23(31)8-9-27(26)32)36-29-24(25)7-4-10-34-29/h3-10,13-18H,11-12H2,1-2H3,(H,35,38)
InChIKeyUDOOFCRTNDEXTO-UHFFFAOYSA-N
XLogP6.11
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.02
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide?
The IUPAC name of 3-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide (CID 53346154) is 3-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide.
What is the SMILES notation for 3-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide?
The canonical SMILES for 3-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide is CN(C)CCNC(=O)c1cccc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)c1.
What is the InChIKey of 3-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide?
The InChIKey is UDOOFCRTNDEXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25ClFN5O/c1-37(2)12-11-35-30(38)20-6-3-5-19(13-20)21-14-22(18-33-17-21)25-16-28(26-15-23(31)8-9-27(26)32)36-29-24(25)7-4-10-34-29/h3-10,13-18H,11-12H2,1-2H3,(H,35,38).
What are the key properties of 3-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide?
3-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide has a molecular weight of 526.02 g/mol, XLogP of 6.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide is sourced from PubChem (CID 53346154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).