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

C12H16BrN3O2 — CID 60510517

IUPACN-(5-bromo-2-pyridinyl)-2-[cyclopropyl(2-hydroxyethyl)amino]acetamide
SMILESO=C(CN(CCO)C1CC1)Nc1ccc(Br)cn1
InChIInChI=1S/C12H16BrN3O2/c13-9-1-4-11(14-7-9)15-12(18)8-16(5-6-17)10-2-3-10/h1,4,7,10,17H,2-3,5-6,8H2,(H,14,15,18)
InChIKeyZVWXCDNSRRLACY-UHFFFAOYSA-N
MW314.18 g/mol
LogP1.24
Rot. Bonds6

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

N-(5-bromo-2-pyridinyl)-2-[cyclopropyl(2-hydroxyethyl)amino]acetamide (PubChem CID 60510517) has the molecular formula C12H16BrN3O2 and a molecular weight of 314.18 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-[cyclopropyl(2-hydroxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-[cyclopropyl(2-hydroxyethyl)amino]acetamide
PubChem CID60510517
Molecular FormulaC12H16BrN3O2
Molecular Weight314.18 g/mol
Exact Mass313.04
IUPAC NameN-(5-bromo-2-pyridinyl)-2-[cyclopropyl(2-hydroxyethyl)amino]acetamide
SMILESO=C(CN(CCO)C1CC1)Nc1ccc(Br)cn1
InChIInChI=1S/C12H16BrN3O2/c13-9-1-4-11(14-7-9)15-12(18)8-16(5-6-17)10-2-3-10/h1,4,7,10,17H,2-3,5-6,8H2,(H,14,15,18)
InChIKeyZVWXCDNSRRLACY-UHFFFAOYSA-N
XLogP1.24
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-pyridinyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide
CID 102676743
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CID 60806990
2-[azetidin-3-yl(propyl)amino]-N-(5-bromo-2-pyridinyl)acetamide
CID 66214675
N-(4-bromophenyl)-2-[cyclopentyl(2-hydroxyethyl)amino]acetamide
CID 60911559
N-(5-bromo-2-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
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N-(5-bromo-2-pyridinyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide
CID 47131087
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(4-methylphenyl)acetamide
CID 60509867
2-[cyclopropyl(ethyl)amino]-N-(5-iodo-2-pyridinyl)acetamide
CID 75438366
N-(5-bromo-2-pyridinyl)-2-[cyclopropyl-[(1R)-2,3-dihydro-1H-inden-1-yl]amino]acetamide
CID 95164536
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2,6-diethylphenyl)acetamide
CID 110892083
N-(5-bromo-2-pyridinyl)-2-[methyl(3-methylbutyl)amino]acetamide
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CID 84591088

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-[cyclopropyl(2-hydroxyethyl)amino]acetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-[cyclopropyl(2-hydroxyethyl)amino]acetamide (CID 60510517) is N-(5-bromo-2-pyridinyl)-2-[cyclopropyl(2-hydroxyethyl)amino]acetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-[cyclopropyl(2-hydroxyethyl)amino]acetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-[cyclopropyl(2-hydroxyethyl)amino]acetamide is O=C(CN(CCO)C1CC1)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-[cyclopropyl(2-hydroxyethyl)amino]acetamide?
The InChIKey is ZVWXCDNSRRLACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2/c13-9-1-4-11(14-7-9)15-12(18)8-16(5-6-17)10-2-3-10/h1,4,7,10,17H,2-3,5-6,8H2,(H,14,15,18).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-[cyclopropyl(2-hydroxyethyl)amino]acetamide?
N-(5-bromo-2-pyridinyl)-2-[cyclopropyl(2-hydroxyethyl)amino]acetamide has a molecular weight of 314.18 g/mol, XLogP of 1.24, 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-[cyclopropyl(2-hydroxyethyl)amino]acetamide is sourced from PubChem (CID 60510517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).