3-bromo-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide

C15H23BrN4O — CID 107518771

IUPAC3-bromo-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide
SMILESCN1CCN(C(C)(C)CNC(=O)c2ncccc2Br)CC1
InChIInChI=1S/C15H23BrN4O/c1-15(2,20-9-7-19(3)8-10-20)11-18-14(21)13-12(16)5-4-6-17-13/h4-6H,7-11H2,1-3H3,(H,18,21)
InChIKeyNNEUBXXEQUCFQF-UHFFFAOYSA-N
MW355.28 g/mol
LogP1.60
Rot. Bonds4

About 3-bromo-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide

3-bromo-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide (PubChem CID 107518771) has the molecular formula C15H23BrN4O and a molecular weight of 355.28 g/mol. Its IUPAC name is 3-bromo-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide
PubChem CID107518771
Molecular FormulaC15H23BrN4O
Molecular Weight355.28 g/mol
Exact Mass354.11
IUPAC Name3-bromo-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide
SMILESCN1CCN(C(C)(C)CNC(=O)c2ncccc2Br)CC1
InChIInChI=1S/C15H23BrN4O/c1-15(2,20-9-7-19(3)8-10-20)11-18-14(21)13-12(16)5-4-6-17-13/h4-6H,7-11H2,1-3H3,(H,18,21)
InChIKeyNNEUBXXEQUCFQF-UHFFFAOYSA-N
XLogP1.60
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-carboxamide
CID 107519431
3-[(3-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 107517223
3-bromo-N-(3-hydroxy-2,2-dimethylpropyl)pyridine-2-carboxamide
CID 107519206
2-fluoro-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-4-carboxamide
CID 61294593
4-chloro-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 81228576
2-bromo-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide
CID 51148947
3-bromo-N-(2-oxopropyl)pyridine-2-carboxamide
CID 107517564
3-bromo-N-(2-morpholin-4-yl-2-oxoethyl)pyridine-2-carboxamide
CID 166178525
3-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 107518109
3-bromo-N-[(2S)-2-hydroxypropyl]pyridine-2-carboxamide
CID 107519736
3-bromo-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide
CID 107519069
3-bromo-N-[(2-methylcyclopropyl)methyl]pyridine-2-carboxamide
CID 107519323

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide (CID 107518771) is 3-bromo-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide is CN1CCN(C(C)(C)CNC(=O)c2ncccc2Br)CC1.
What is the InChIKey of 3-bromo-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide?
The InChIKey is NNEUBXXEQUCFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN4O/c1-15(2,20-9-7-19(3)8-10-20)11-18-14(21)13-12(16)5-4-6-17-13/h4-6H,7-11H2,1-3H3,(H,18,21).
What are the key properties of 3-bromo-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide?
3-bromo-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide has a molecular weight of 355.28 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 107518771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).