N-(6-bromo-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide

C12H13BrN4O2 — CID 135577900

IUPACN-(6-bromo-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nc2ncc(Br)cc2c(=O)[nH]1
InChIInChI=1S/C12H13BrN4O2/c1-12(2,3)10(19)17-11-15-8-7(9(18)16-11)4-6(13)5-14-8/h4-5H,1-3H3,(H2,14,15,16,17,18,19)
InChIKeyYWBHXANUFSSMNL-UHFFFAOYSA-N
MW325.17 g/mol
LogP2.07
Rot. Bonds1

About N-(6-bromo-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide

N-(6-bromo-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide (PubChem CID 135577900) has the molecular formula C12H13BrN4O2 and a molecular weight of 325.17 g/mol. Its IUPAC name is N-(6-bromo-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(6-bromo-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide
PubChem CID135577900
Molecular FormulaC12H13BrN4O2
Molecular Weight325.17 g/mol
Exact Mass324.02
IUPAC NameN-(6-bromo-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nc2ncc(Br)cc2c(=O)[nH]1
InChIInChI=1S/C12H13BrN4O2/c1-12(2,3)10(19)17-11-15-8-7(9(18)16-11)4-6(13)5-14-8/h4-5H,1-3H3,(H2,14,15,16,17,18,19)
InChIKeyYWBHXANUFSSMNL-UHFFFAOYSA-N
XLogP2.07
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(6-bromo-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide (CID 135577900) is N-(6-bromo-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(6-bromo-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(6-bromo-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1nc2ncc(Br)cc2c(=O)[nH]1.
What is the InChIKey of N-(6-bromo-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide?
The InChIKey is YWBHXANUFSSMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O2/c1-12(2,3)10(19)17-11-15-8-7(9(18)16-11)4-6(13)5-14-8/h4-5H,1-3H3,(H2,14,15,16,17,18,19).
What are the key properties of N-(6-bromo-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide?
N-(6-bromo-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide has a molecular weight of 325.17 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 135577900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).