5-bromo-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)pyridine-3-carboxamide

C11H9BrN4O3 — CID 122150353

IUPAC5-bromo-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)pyridine-3-carboxamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1NC(=O)c1cncc(Br)c1
InChIInChI=1S/C11H9BrN4O3/c1-5-8(10(18)16-11(19)14-5)15-9(17)6-2-7(12)4-13-3-6/h2-4H,1H3,(H,15,17)(H2,14,16,18,19)
InChIKeyYLOKUDJBIDKUAP-UHFFFAOYSA-N
MW325.12 g/mol
LogP0.78
Rot. Bonds2

About 5-bromo-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)pyridine-3-carboxamide

5-bromo-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)pyridine-3-carboxamide (PubChem CID 122150353) has the molecular formula C11H9BrN4O3 and a molecular weight of 325.12 g/mol. Its IUPAC name is 5-bromo-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)pyridine-3-carboxamide
PubChem CID122150353
Molecular FormulaC11H9BrN4O3
Molecular Weight325.12 g/mol
Exact Mass323.99
IUPAC Name5-bromo-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)pyridine-3-carboxamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1NC(=O)c1cncc(Br)c1
InChIInChI=1S/C11H9BrN4O3/c1-5-8(10(18)16-11(19)14-5)15-9(17)6-2-7(12)4-13-3-6/h2-4H,1H3,(H,15,17)(H2,14,16,18,19)
InChIKeyYLOKUDJBIDKUAP-UHFFFAOYSA-N
XLogP0.78
TPSA107.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.12
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide
CID 107574886
N-(4-amino-2-ethyl-6-methylphenyl)-5-bromopyridine-3-carboxamide
CID 50880485
5-bromo-N-(3,5-dichlorophenyl)pyridine-3-carboxamide
CID 731484
5-bromo-N-(2,6-dichloro-4-fluorophenyl)pyridine-3-carboxamide
CID 82889340
5-bromo-N-(5-bromo-2-methylphenyl)pyridine-3-carboxamide
CID 43806322
5-bromo-N-[4-(bromomethyl)phenyl]pyridine-3-carboxamide
CID 113274680
5-bromo-N-(5-ethyl-1H-pyrazol-3-yl)pyridine-3-carboxamide
CID 47423228
5-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide
CID 33152161
5-bromo-N-pyrimidin-2-ylpyridine-3-carboxamide
CID 29367937
5-bromo-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 1267701
5-bromo-N-(4-methyl-1,3-oxazol-2-yl)pyridine-3-carboxamide
CID 115669424
5-bromo-N-methoxypyridine-3-carboxamide
CID 51279281

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)pyridine-3-carboxamide (CID 122150353) is 5-bromo-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)pyridine-3-carboxamide is Cc1[nH]c(=O)[nH]c(=O)c1NC(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)pyridine-3-carboxamide?
The InChIKey is YLOKUDJBIDKUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4O3/c1-5-8(10(18)16-11(19)14-5)15-9(17)6-2-7(12)4-13-3-6/h2-4H,1H3,(H,15,17)(H2,14,16,18,19).
What are the key properties of 5-bromo-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)pyridine-3-carboxamide?
5-bromo-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)pyridine-3-carboxamide has a molecular weight of 325.12 g/mol, XLogP of 0.78, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 122150353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).