2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]acetamide

C17H12BrN5O — CID 171346003

IUPAC2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]acetamide
SMILESN#Cc1c(-c2ccc(Br)cc2)nc2cnccc2c1NCC(N)=O
InChIInChI=1S/C17H12BrN5O/c18-11-3-1-10(2-4-11)16-13(7-19)17(22-9-15(20)24)12-5-6-21-8-14(12)23-16/h1-6,8H,9H2,(H2,20,24)(H,22,23)
InChIKeyAVFUUQONLDOKTI-UHFFFAOYSA-N
MW382.22 g/mol
LogP2.83
Rot. Bonds4

About 2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]acetamide

2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]acetamide (PubChem CID 171346003) has the molecular formula C17H12BrN5O and a molecular weight of 382.22 g/mol. Its IUPAC name is 2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]acetamide.

Molecular Properties

Compound Name2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]acetamide
PubChem CID171346003
Molecular FormulaC17H12BrN5O
Molecular Weight382.22 g/mol
Exact Mass381.02
IUPAC Name2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]acetamide
SMILESN#Cc1c(-c2ccc(Br)cc2)nc2cnccc2c1NCC(N)=O
InChIInChI=1S/C17H12BrN5O/c18-11-3-1-10(2-4-11)16-13(7-19)17(22-9-15(20)24)12-5-6-21-8-14(12)23-16/h1-6,8H,9H2,(H2,20,24)(H,22,23)
InChIKeyAVFUUQONLDOKTI-UHFFFAOYSA-N
XLogP2.83
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.22
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]acetamide?
The IUPAC name of 2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]acetamide (CID 171346003) is 2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]acetamide.
What is the SMILES notation for 2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]acetamide?
The canonical SMILES for 2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]acetamide is N#Cc1c(-c2ccc(Br)cc2)nc2cnccc2c1NCC(N)=O.
What is the InChIKey of 2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]acetamide?
The InChIKey is AVFUUQONLDOKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN5O/c18-11-3-1-10(2-4-11)16-13(7-19)17(22-9-15(20)24)12-5-6-21-8-14(12)23-16/h1-6,8H,9H2,(H2,20,24)(H,22,23).
What are the key properties of 2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]acetamide?
2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]acetamide has a molecular weight of 382.22 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]acetamide is sourced from PubChem (CID 171346003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).