N-(5-bromo-2-pyridinyl)-2-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]acetamide

C15H17BrN4O — CID 95284652

IUPACN-(5-bromo-2-pyridinyl)-2-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]acetamide
SMILESC[C@H](c1cccnc1)N(C)CC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C15H17BrN4O/c1-11(12-4-3-7-17-8-12)20(2)10-15(21)19-14-6-5-13(16)9-18-14/h3-9,11H,10H2,1-2H3,(H,18,19,21)/t11-/m1/s1
InChIKeyXGPHXWORQYUAQK-LLVKDONJSA-N
MW349.23 g/mol
LogP2.87
Rot. Bonds5

About N-(5-bromo-2-pyridinyl)-2-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]acetamide

N-(5-bromo-2-pyridinyl)-2-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]acetamide (PubChem CID 95284652) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]acetamide
PubChem CID95284652
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC NameN-(5-bromo-2-pyridinyl)-2-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]acetamide
SMILESC[C@H](c1cccnc1)N(C)CC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C15H17BrN4O/c1-11(12-4-3-7-17-8-12)20(2)10-15(21)19-14-6-5-13(16)9-18-14/h3-9,11H,10H2,1-2H3,(H,18,19,21)/t11-/m1/s1
InChIKeyXGPHXWORQYUAQK-LLVKDONJSA-N
XLogP2.87
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-pyridinyl)-2-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetamide
CID 95166488
N-(5-bromo-2-pyridinyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 84591088
2-[methyl(1-pyridin-3-ylethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 71906399
N-(5-bromo-2-pyridinyl)-2-[methyl(3-methylbutyl)amino]acetamide
CID 47287887
N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(1S)-1-pyridin-3-ylethyl]amino]acetamide
CID 97089206
N-(5-bromo-2-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
CID 62021912
5-bromo-N-(1-pyridin-3-ylethyl)pyridin-2-amine
CID 43523794
2-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 97328796
methyl 3-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 62011505
N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide
CID 119875001
N-(5-bromo-2-pyridinyl)-2-[[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 56549313
2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-methylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 56549524

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]acetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]acetamide (CID 95284652) is N-(5-bromo-2-pyridinyl)-2-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]acetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]acetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]acetamide is C[C@H](c1cccnc1)N(C)CC(=O)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]acetamide?
The InChIKey is XGPHXWORQYUAQK-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17BrN4O/c1-11(12-4-3-7-17-8-12)20(2)10-15(21)19-14-6-5-13(16)9-18-14/h3-9,11H,10H2,1-2H3,(H,18,19,21)/t11-/m1/s1.
What are the key properties of N-(5-bromo-2-pyridinyl)-2-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]acetamide?
N-(5-bromo-2-pyridinyl)-2-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]acetamide has a molecular weight of 349.23 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]acetamide is sourced from PubChem (CID 95284652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).