2-amino-5-bromo-N-(2-methyl-3-pyridinyl)pyridine-3-carboxamide

C12H11BrN4O — CID 79044111

IUPAC2-amino-5-bromo-N-(2-methyl-3-pyridinyl)pyridine-3-carboxamide
SMILESCc1ncccc1NC(=O)c1cc(Br)cnc1N
InChIInChI=1S/C12H11BrN4O/c1-7-10(3-2-4-15-7)17-12(18)9-5-8(13)6-16-11(9)14/h2-6H,1H3,(H2,14,16)(H,17,18)
InChIKeyNDLQBDOYPVBNIB-UHFFFAOYSA-N
MW307.15 g/mol
LogP2.38
Rot. Bonds2

About 2-amino-5-bromo-N-(2-methyl-3-pyridinyl)pyridine-3-carboxamide

2-amino-5-bromo-N-(2-methyl-3-pyridinyl)pyridine-3-carboxamide (PubChem CID 79044111) has the molecular formula C12H11BrN4O and a molecular weight of 307.15 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(2-methyl-3-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(2-methyl-3-pyridinyl)pyridine-3-carboxamide
PubChem CID79044111
Molecular FormulaC12H11BrN4O
Molecular Weight307.15 g/mol
Exact Mass306.01
IUPAC Name2-amino-5-bromo-N-(2-methyl-3-pyridinyl)pyridine-3-carboxamide
SMILESCc1ncccc1NC(=O)c1cc(Br)cnc1N
InChIInChI=1S/C12H11BrN4O/c1-7-10(3-2-4-15-7)17-12(18)9-5-8(13)6-16-11(9)14/h2-6H,1H3,(H2,14,16)(H,17,18)
InChIKeyNDLQBDOYPVBNIB-UHFFFAOYSA-N
XLogP2.38
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-bromo-N-(2-methyl-3-pyridinyl)benzamide
CID 79713450
2-amino-5-bromo-N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide
CID 55042996
5-bromo-2-hydroxy-N-(2-methyl-3-pyridinyl)benzamide
CID 103715623
3-amino-2-bromo-N-(2-methyl-3-pyridinyl)benzamide
CID 113367036
2-amino-5-bromo-N-(2,4-dibromophenyl)pyridine-3-carboxamide
CID 62187349
2-amino-5-bromo-N-isoquinolin-5-ylpyridine-3-carboxamide
CID 62159599
2-amino-5-chloro-N-(2-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 114923980
2-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-carboxamide
CID 62153366
2-amino-5-bromo-N-(2-bromo-4-chlorophenyl)pyridine-3-carboxamide
CID 81275368
3,5-diamino-N-(2-methyl-3-pyridinyl)benzamide
CID 79042253
2-methyl-N-(2-methyl-3-pyridinyl)benzamide
CID 71985815
2-amino-5-bromo-N-(4-bromo-2-cyanophenyl)pyridine-3-carboxamide
CID 82703881

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(2-methyl-3-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-(2-methyl-3-pyridinyl)pyridine-3-carboxamide (CID 79044111) is 2-amino-5-bromo-N-(2-methyl-3-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-(2-methyl-3-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-(2-methyl-3-pyridinyl)pyridine-3-carboxamide is Cc1ncccc1NC(=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-amino-5-bromo-N-(2-methyl-3-pyridinyl)pyridine-3-carboxamide?
The InChIKey is NDLQBDOYPVBNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O/c1-7-10(3-2-4-15-7)17-12(18)9-5-8(13)6-16-11(9)14/h2-6H,1H3,(H2,14,16)(H,17,18).
What are the key properties of 2-amino-5-bromo-N-(2-methyl-3-pyridinyl)pyridine-3-carboxamide?
2-amino-5-bromo-N-(2-methyl-3-pyridinyl)pyridine-3-carboxamide has a molecular weight of 307.15 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(2-methyl-3-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 79044111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).