N-(5-bromo-2-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide

C12H18BrN3O2 — CID 62021912

IUPACN-(5-bromo-2-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(CCO)CC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C12H18BrN3O2/c1-9(2)16(5-6-17)8-12(18)15-11-4-3-10(13)7-14-11/h3-4,7,9,17H,5-6,8H2,1-2H3,(H,14,15,18)
InChIKeyDPWLWCHGZXHBJL-UHFFFAOYSA-N
MW316.20 g/mol
LogP1.49
Rot. Bonds6

About N-(5-bromo-2-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide

N-(5-bromo-2-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide (PubChem CID 62021912) has the molecular formula C12H18BrN3O2 and a molecular weight of 316.20 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
PubChem CID62021912
Molecular FormulaC12H18BrN3O2
Molecular Weight316.20 g/mol
Exact Mass315.06
IUPAC NameN-(5-bromo-2-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(CCO)CC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C12H18BrN3O2/c1-9(2)16(5-6-17)8-12(18)15-11-4-3-10(13)7-14-11/h3-4,7,9,17H,5-6,8H2,1-2H3,(H,14,15,18)
InChIKeyDPWLWCHGZXHBJL-UHFFFAOYSA-N
XLogP1.49
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-pyridinyl)-2-[methyl(3-methylbutyl)amino]acetamide
CID 47287887
N-(5-bromo-2-pyridinyl)-2-[cyclopropyl(2-hydroxyethyl)amino]acetamide
CID 60510517
N-(5-bromo-2-pyridinyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide
CID 102676743
N-(3-bromophenyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
CID 60692744
2-[2-hydroxyethyl(propan-2-yl)amino]-N-phenylacetamide
CID 60696762
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
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-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]acetamide
CID 95284652
N-(5-bromo-2-pyridinyl)-2-methylpropanamide
CID 14988412
N-(2-chloro-3-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
CID 60691996

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide (CID 62021912) is N-(5-bromo-2-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide is CC(C)N(CCO)CC(=O)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide?
The InChIKey is DPWLWCHGZXHBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O2/c1-9(2)16(5-6-17)8-12(18)15-11-4-3-10(13)7-14-11/h3-4,7,9,17H,5-6,8H2,1-2H3,(H,14,15,18).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide?
N-(5-bromo-2-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide has a molecular weight of 316.20 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide is sourced from PubChem (CID 62021912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).