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

C18H14BrN5O — CID 171347333

IUPAC2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]propanamide
SMILESCC(Nc1c(C#N)c(-c2ccc(Br)cc2)nc2cnccc12)C(N)=O
InChIInChI=1S/C18H14BrN5O/c1-10(18(21)25)23-17-13-6-7-22-9-15(13)24-16(14(17)8-20)11-2-4-12(19)5-3-11/h2-7,9-10H,1H3,(H2,21,25)(H,23,24)
InChIKeyVHAUSHQVPCOIPS-UHFFFAOYSA-N
MW396.25 g/mol
LogP3.22
Rot. Bonds4

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

2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]propanamide (PubChem CID 171347333) 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]amino]propanamide.

Molecular Properties

Compound Name2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]propanamide
PubChem CID171347333
Molecular FormulaC18H14BrN5O
Molecular Weight396.25 g/mol
Exact Mass395.04
IUPAC Name2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]propanamide
SMILESCC(Nc1c(C#N)c(-c2ccc(Br)cc2)nc2cnccc12)C(N)=O
InChIInChI=1S/C18H14BrN5O/c1-10(18(21)25)23-17-13-6-7-22-9-15(13)24-16(14(17)8-20)11-2-4-12(19)5-3-11/h2-7,9-10H,1H3,(H2,21,25)(H,23,24)
InChIKeyVHAUSHQVPCOIPS-UHFFFAOYSA-N
XLogP3.22
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.25
LogP ≤ 53.22
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]propanamide?
The IUPAC name of 2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]propanamide (CID 171347333) is 2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]propanamide.
What is the SMILES notation for 2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]propanamide?
The canonical SMILES for 2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]propanamide is CC(Nc1c(C#N)c(-c2ccc(Br)cc2)nc2cnccc12)C(N)=O.
What is the InChIKey of 2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]propanamide?
The InChIKey is VHAUSHQVPCOIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN5O/c1-10(18(21)25)23-17-13-6-7-22-9-15(13)24-16(14(17)8-20)11-2-4-12(19)5-3-11/h2-7,9-10H,1H3,(H2,21,25)(H,23,24).
What are the key properties of 2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]propanamide?
2-[[2-(4-bromophenyl)-3-cyano-1,7-naphthyridin-4-yl]amino]propanamide has a molecular weight of 396.25 g/mol, XLogP of 3.22, 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]propanamide is sourced from PubChem (CID 171347333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).