N-[5-bromo-1-(6-cyano-2,2-dimethylchromen-4-yl)-2-oxo-3-pyridinyl]acetamide

C19H16BrN3O3 — CID 22122714

IUPACN-[5-bromo-1-(6-cyano-2,2-dimethylchromen-4-yl)-2-oxo-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Br)cn(C2=CC(C)(C)Oc3ccc(C#N)cc32)c1=O
InChIInChI=1S/C19H16BrN3O3/c1-11(24)22-15-7-13(20)10-23(18(15)25)16-8-19(2,3)26-17-5-4-12(9-21)6-14(16)17/h4-8,10H,1-3H3,(H,22,24)
InChIKeyOROICOUQZRVYLC-UHFFFAOYSA-N
MW414.26 g/mol
LogP3.50
Rot. Bonds2

About N-[5-bromo-1-(6-cyano-2,2-dimethylchromen-4-yl)-2-oxo-3-pyridinyl]acetamide

N-[5-bromo-1-(6-cyano-2,2-dimethylchromen-4-yl)-2-oxo-3-pyridinyl]acetamide (PubChem CID 22122714) has the molecular formula C19H16BrN3O3 and a molecular weight of 414.26 g/mol. Its IUPAC name is N-[5-bromo-1-(6-cyano-2,2-dimethylchromen-4-yl)-2-oxo-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-bromo-1-(6-cyano-2,2-dimethylchromen-4-yl)-2-oxo-3-pyridinyl]acetamide
PubChem CID22122714
Molecular FormulaC19H16BrN3O3
Molecular Weight414.26 g/mol
Exact Mass413.04
IUPAC NameN-[5-bromo-1-(6-cyano-2,2-dimethylchromen-4-yl)-2-oxo-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Br)cn(C2=CC(C)(C)Oc3ccc(C#N)cc32)c1=O
InChIInChI=1S/C19H16BrN3O3/c1-11(24)22-15-7-13(20)10-23(18(15)25)16-8-19(2,3)26-17-5-4-12(9-21)6-14(16)17/h4-8,10H,1-3H3,(H,22,24)
InChIKeyOROICOUQZRVYLC-UHFFFAOYSA-N
XLogP3.50
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.26
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-1-(6-cyano-2,2-dimethylchromen-4-yl)-2-oxo-3-pyridinyl]acetamide?
The IUPAC name of N-[5-bromo-1-(6-cyano-2,2-dimethylchromen-4-yl)-2-oxo-3-pyridinyl]acetamide (CID 22122714) is N-[5-bromo-1-(6-cyano-2,2-dimethylchromen-4-yl)-2-oxo-3-pyridinyl]acetamide.
What is the SMILES notation for N-[5-bromo-1-(6-cyano-2,2-dimethylchromen-4-yl)-2-oxo-3-pyridinyl]acetamide?
The canonical SMILES for N-[5-bromo-1-(6-cyano-2,2-dimethylchromen-4-yl)-2-oxo-3-pyridinyl]acetamide is CC(=O)Nc1cc(Br)cn(C2=CC(C)(C)Oc3ccc(C#N)cc32)c1=O.
What is the InChIKey of N-[5-bromo-1-(6-cyano-2,2-dimethylchromen-4-yl)-2-oxo-3-pyridinyl]acetamide?
The InChIKey is OROICOUQZRVYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O3/c1-11(24)22-15-7-13(20)10-23(18(15)25)16-8-19(2,3)26-17-5-4-12(9-21)6-14(16)17/h4-8,10H,1-3H3,(H,22,24).
What are the key properties of N-[5-bromo-1-(6-cyano-2,2-dimethylchromen-4-yl)-2-oxo-3-pyridinyl]acetamide?
N-[5-bromo-1-(6-cyano-2,2-dimethylchromen-4-yl)-2-oxo-3-pyridinyl]acetamide has a molecular weight of 414.26 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-1-(6-cyano-2,2-dimethylchromen-4-yl)-2-oxo-3-pyridinyl]acetamide is sourced from PubChem (CID 22122714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).