N-[3-[(6-bromoquinazolin-2-yl)amino]-5-pyridin-3-ylphenyl]acetamide

C21H16BrN5O — CID 25017030

IUPACN-[3-[(6-bromoquinazolin-2-yl)amino]-5-pyridin-3-ylphenyl]acetamide
SMILESCC(=O)Nc1cc(Nc2ncc3cc(Br)ccc3n2)cc(-c2cccnc2)c1
InChIInChI=1S/C21H16BrN5O/c1-13(28)25-18-8-15(14-3-2-6-23-11-14)9-19(10-18)26-21-24-12-16-7-17(22)4-5-20(16)27-21/h2-12H,1H3,(H,25,28)(H,24,26,27)
InChIKeyTXGOHDZNLVBYCG-UHFFFAOYSA-N
MW434.30 g/mol
LogP5.16
Rot. Bonds4

About N-[3-[(6-bromoquinazolin-2-yl)amino]-5-pyridin-3-ylphenyl]acetamide

N-[3-[(6-bromoquinazolin-2-yl)amino]-5-pyridin-3-ylphenyl]acetamide (PubChem CID 25017030) has the molecular formula C21H16BrN5O and a molecular weight of 434.30 g/mol. Its IUPAC name is N-[3-[(6-bromoquinazolin-2-yl)amino]-5-pyridin-3-ylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(6-bromoquinazolin-2-yl)amino]-5-pyridin-3-ylphenyl]acetamide
PubChem CID25017030
Molecular FormulaC21H16BrN5O
Molecular Weight434.30 g/mol
Exact Mass433.05
IUPAC NameN-[3-[(6-bromoquinazolin-2-yl)amino]-5-pyridin-3-ylphenyl]acetamide
SMILESCC(=O)Nc1cc(Nc2ncc3cc(Br)ccc3n2)cc(-c2cccnc2)c1
InChIInChI=1S/C21H16BrN5O/c1-13(28)25-18-8-15(14-3-2-6-23-11-14)9-19(10-18)26-21-24-12-16-7-17(22)4-5-20(16)27-21/h2-12H,1H3,(H,25,28)(H,24,26,27)
InChIKeyTXGOHDZNLVBYCG-UHFFFAOYSA-N
XLogP5.16
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.30
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-bromoquinazolin-2-yl)amino]-5-pyridin-3-ylphenyl]acetamide?
The IUPAC name of N-[3-[(6-bromoquinazolin-2-yl)amino]-5-pyridin-3-ylphenyl]acetamide (CID 25017030) is N-[3-[(6-bromoquinazolin-2-yl)amino]-5-pyridin-3-ylphenyl]acetamide.
What is the SMILES notation for N-[3-[(6-bromoquinazolin-2-yl)amino]-5-pyridin-3-ylphenyl]acetamide?
The canonical SMILES for N-[3-[(6-bromoquinazolin-2-yl)amino]-5-pyridin-3-ylphenyl]acetamide is CC(=O)Nc1cc(Nc2ncc3cc(Br)ccc3n2)cc(-c2cccnc2)c1.
What is the InChIKey of N-[3-[(6-bromoquinazolin-2-yl)amino]-5-pyridin-3-ylphenyl]acetamide?
The InChIKey is TXGOHDZNLVBYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrN5O/c1-13(28)25-18-8-15(14-3-2-6-23-11-14)9-19(10-18)26-21-24-12-16-7-17(22)4-5-20(16)27-21/h2-12H,1H3,(H,25,28)(H,24,26,27).
What are the key properties of N-[3-[(6-bromoquinazolin-2-yl)amino]-5-pyridin-3-ylphenyl]acetamide?
N-[3-[(6-bromoquinazolin-2-yl)amino]-5-pyridin-3-ylphenyl]acetamide has a molecular weight of 434.30 g/mol, XLogP of 5.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-bromoquinazolin-2-yl)amino]-5-pyridin-3-ylphenyl]acetamide is sourced from PubChem (CID 25017030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).