4-[(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)methyl]-3-methylbenzonitrile

C15H14BrN3O — CID 114480903

IUPAC4-[(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)methyl]-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1Cn1cc(N)c(C)c(Br)c1=O
InChIInChI=1S/C15H14BrN3O/c1-9-5-11(6-17)3-4-12(9)7-19-8-13(18)10(2)14(16)15(19)20/h3-5,8H,7,18H2,1-2H3
InChIKeyUFFBNQFLBZSXKO-UHFFFAOYSA-N
MW332.20 g/mol
LogP2.73
Rot. Bonds2

About 4-[(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)methyl]-3-methylbenzonitrile

4-[(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)methyl]-3-methylbenzonitrile (PubChem CID 114480903) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 4-[(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)methyl]-3-methylbenzonitrile.

Molecular Properties

Compound Name4-[(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)methyl]-3-methylbenzonitrile
PubChem CID114480903
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name4-[(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)methyl]-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1Cn1cc(N)c(C)c(Br)c1=O
InChIInChI=1S/C15H14BrN3O/c1-9-5-11(6-17)3-4-12(9)7-19-8-13(18)10(2)14(16)15(19)20/h3-5,8H,7,18H2,1-2H3
InChIKeyUFFBNQFLBZSXKO-UHFFFAOYSA-N
XLogP2.73
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-amino-2-oxo-1-pyridinyl)methyl]-3-methylbenzonitrile
CID 114480892
4-[(3-bromo-2-oxo-1-pyridinyl)methyl]-3-methylbenzonitrile
CID 114761409
4-[(5-amino-4-chloro-6-oxopyrimidin-1-yl)methyl]-3-methylbenzonitrile
CID 114582875
5-amino-3-bromo-1-[(2-bromo-5-methoxyphenyl)methyl]-4-methylpyridin-2-one
CID 104505773
5-amino-3-bromo-1-[(3,5-dimethylphenyl)methyl]-4-methylpyridin-2-one
CID 104505889
3-methyl-4-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzonitrile
CID 114485997
4-[(2,6-dioxopiperidin-1-yl)methyl]-3-methylbenzonitrile
CID 114481351
5-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)pentanenitrile
CID 104505870
4-amino-1-[(4-cyano-2-methylphenyl)methyl]pyrazole-3-carboxamide
CID 107345349
5-amino-3-bromo-1-[(5-bromo-2-pyridinyl)methyl]-4-methylpyridin-2-one
CID 104797243
4-[(6-bromoindol-1-yl)methyl]-3-methylbenzonitrile
CID 114485977
4-[(6-aminoindol-1-yl)methyl]-3-methylbenzonitrile
CID 114480884

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)methyl]-3-methylbenzonitrile?
The IUPAC name of 4-[(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)methyl]-3-methylbenzonitrile (CID 114480903) is 4-[(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)methyl]-3-methylbenzonitrile.
What is the SMILES notation for 4-[(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)methyl]-3-methylbenzonitrile?
The canonical SMILES for 4-[(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)methyl]-3-methylbenzonitrile is Cc1cc(C#N)ccc1Cn1cc(N)c(C)c(Br)c1=O.
What is the InChIKey of 4-[(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)methyl]-3-methylbenzonitrile?
The InChIKey is UFFBNQFLBZSXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c1-9-5-11(6-17)3-4-12(9)7-19-8-13(18)10(2)14(16)15(19)20/h3-5,8H,7,18H2,1-2H3.
What are the key properties of 4-[(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)methyl]-3-methylbenzonitrile?
4-[(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)methyl]-3-methylbenzonitrile has a molecular weight of 332.20 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)methyl]-3-methylbenzonitrile is sourced from PubChem (CID 114480903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).