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

C18H14BrN5O — CID 171345953

IUPAC2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]-methylamino]acetamide
SMILESCN(CC(N)=O)c1c(C#N)c(-c2ccc(Br)cc2)nc2cnccc12
InChIInChI=1S/C18H14BrN5O/c1-24(10-16(21)25)18-13-6-7-22-9-15(13)23-17(14(18)8-20)11-2-4-12(19)5-3-11/h2-7,9H,10H2,1H3,(H2,21,25)
InChIKeyBCBPYDKBHMSVAH-UHFFFAOYSA-N
MW396.25 g/mol
LogP2.85
Rot. Bonds4

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

2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]-methylamino]acetamide (PubChem CID 171345953) has the molecular formula C18H14BrN5O and a molecular weight of 396.25 g/mol. Its IUPAC name is 2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]-methylamino]acetamide.

Molecular Properties

Compound Name2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]-methylamino]acetamide
PubChem CID171345953
Molecular FormulaC18H14BrN5O
Molecular Weight396.25 g/mol
Exact Mass395.04
IUPAC Name2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]-methylamino]acetamide
SMILESCN(CC(N)=O)c1c(C#N)c(-c2ccc(Br)cc2)nc2cnccc12
InChIInChI=1S/C18H14BrN5O/c1-24(10-16(21)25)18-13-6-7-22-9-15(13)23-17(14(18)8-20)11-2-4-12(19)5-3-11/h2-7,9H,10H2,1H3,(H2,21,25)
InChIKeyBCBPYDKBHMSVAH-UHFFFAOYSA-N
XLogP2.85
TPSA95.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.25
LogP ≤ 52.85
H-Bond Donors ≤ 51
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]-methylamino]acetamide?
The IUPAC name of 2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]-methylamino]acetamide (CID 171345953) is 2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]-methylamino]acetamide.
What is the SMILES notation for 2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]-methylamino]acetamide?
The canonical SMILES for 2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]-methylamino]acetamide is CN(CC(N)=O)c1c(C#N)c(-c2ccc(Br)cc2)nc2cnccc12.
What is the InChIKey of 2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]-methylamino]acetamide?
The InChIKey is BCBPYDKBHMSVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN5O/c1-24(10-16(21)25)18-13-6-7-22-9-15(13)23-17(14(18)8-20)11-2-4-12(19)5-3-11/h2-7,9H,10H2,1H3,(H2,21,25).
What are the key properties of 2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]-methylamino]acetamide?
2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]-methylamino]acetamide has a molecular weight of 396.25 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 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]-methylamino]acetamide is sourced from PubChem (CID 171345953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).