2-amino-5-bromo-N-(1,3-dimethylpiperidin-4-yl)pyridine-3-carboxamide

C13H19BrN4O — CID 114505946

IUPAC2-amino-5-bromo-N-(1,3-dimethylpiperidin-4-yl)pyridine-3-carboxamide
SMILESCC1CN(C)CCC1NC(=O)c1cc(Br)cnc1N
InChIInChI=1S/C13H19BrN4O/c1-8-7-18(2)4-3-11(8)17-13(19)10-5-9(14)6-16-12(10)15/h5-6,8,11H,3-4,7H2,1-2H3,(H2,15,16)(H,17,19)
InChIKeyVQXXHOFGDHGASX-UHFFFAOYSA-N
MW327.23 g/mol
LogP1.50
Rot. Bonds2

About 2-amino-5-bromo-N-(1,3-dimethylpiperidin-4-yl)pyridine-3-carboxamide

2-amino-5-bromo-N-(1,3-dimethylpiperidin-4-yl)pyridine-3-carboxamide (PubChem CID 114505946) has the molecular formula C13H19BrN4O and a molecular weight of 327.23 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(1,3-dimethylpiperidin-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(1,3-dimethylpiperidin-4-yl)pyridine-3-carboxamide
PubChem CID114505946
Molecular FormulaC13H19BrN4O
Molecular Weight327.23 g/mol
Exact Mass326.07
IUPAC Name2-amino-5-bromo-N-(1,3-dimethylpiperidin-4-yl)pyridine-3-carboxamide
SMILESCC1CN(C)CCC1NC(=O)c1cc(Br)cnc1N
InChIInChI=1S/C13H19BrN4O/c1-8-7-18(2)4-3-11(8)17-13(19)10-5-9(14)6-16-12(10)15/h5-6,8,11H,3-4,7H2,1-2H3,(H2,15,16)(H,17,19)
InChIKeyVQXXHOFGDHGASX-UHFFFAOYSA-N
XLogP1.50
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-bromo-N-(1,3-dimethylpiperidin-4-yl)-2-methylbenzamide
CID 107873193
5-amino-N-(1,3-dimethylpiperidin-4-yl)-2-methylpyridine-3-carboxamide
CID 114502792
5-amino-N-(1,3-dimethylpiperidin-4-yl)-2,4-dimethylbenzamide
CID 102706008
2-amino-N-(1,3-dimethylpiperidin-4-yl)-3-fluoropyridine-4-carboxamide
CID 105387679
2-amino-5-bromo-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide
CID 62359305
2-amino-5-bromo-N-cyclopentylpyridine-3-carboxamide
CID 62155023
2-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide
CID 115765983
2-amino-5-bromo-N-(3-methylcyclopentyl)pyridine-3-carboxamide
CID 114540575
3-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide
CID 113247797
5-bromo-2-hydrazinyl-N-(2-methylcyclopentyl)pyridine-3-carboxamide
CID 63279137
2-amino-5-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 114138586
N-(1,3-dimethylpiperidin-4-yl)-2,3-dihydroxybenzamide
CID 114504406

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(1,3-dimethylpiperidin-4-yl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-(1,3-dimethylpiperidin-4-yl)pyridine-3-carboxamide (CID 114505946) is 2-amino-5-bromo-N-(1,3-dimethylpiperidin-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-(1,3-dimethylpiperidin-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-(1,3-dimethylpiperidin-4-yl)pyridine-3-carboxamide is CC1CN(C)CCC1NC(=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-amino-5-bromo-N-(1,3-dimethylpiperidin-4-yl)pyridine-3-carboxamide?
The InChIKey is VQXXHOFGDHGASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O/c1-8-7-18(2)4-3-11(8)17-13(19)10-5-9(14)6-16-12(10)15/h5-6,8,11H,3-4,7H2,1-2H3,(H2,15,16)(H,17,19).
What are the key properties of 2-amino-5-bromo-N-(1,3-dimethylpiperidin-4-yl)pyridine-3-carboxamide?
2-amino-5-bromo-N-(1,3-dimethylpiperidin-4-yl)pyridine-3-carboxamide has a molecular weight of 327.23 g/mol, XLogP of 1.50, 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-(1,3-dimethylpiperidin-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 114505946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).