N-(5-bromo-2-pyridinyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]acetamide

C14H21BrN4O2 — CID 63312780

IUPACN-(5-bromo-2-pyridinyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]acetamide
SMILESO=C(CN1CCCN(CCO)CC1)Nc1ccc(Br)cn1
InChIInChI=1S/C14H21BrN4O2/c15-12-2-3-13(16-10-12)17-14(21)11-19-5-1-4-18(6-7-19)8-9-20/h2-3,10,20H,1,4-9,11H2,(H,16,17,21)
InChIKeyPFEXNPACBIIEQI-UHFFFAOYSA-N
MW357.25 g/mol
LogP0.78
Rot. Bonds5

About N-(5-bromo-2-pyridinyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]acetamide

N-(5-bromo-2-pyridinyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]acetamide (PubChem CID 63312780) has the molecular formula C14H21BrN4O2 and a molecular weight of 357.25 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]acetamide
PubChem CID63312780
Molecular FormulaC14H21BrN4O2
Molecular Weight357.25 g/mol
Exact Mass356.08
IUPAC NameN-(5-bromo-2-pyridinyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]acetamide
SMILESO=C(CN1CCCN(CCO)CC1)Nc1ccc(Br)cn1
InChIInChI=1S/C14H21BrN4O2/c15-12-2-3-13(16-10-12)17-14(21)11-19-5-1-4-18(6-7-19)8-9-20/h2-3,10,20H,1,4-9,11H2,(H,16,17,21)
InChIKeyPFEXNPACBIIEQI-UHFFFAOYSA-N
XLogP0.78
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromo-2-pyridinyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 17066616
N-(5-chloro-2-pyridinyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 17066612
N-(5-bromo-2-pyridinyl)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195869
4-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 37206607
4-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-ethylpiperazine-1-carboxamide
CID 86913488
N-(5-bromo-2-pyridinyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 115305446
N-(5-bromo-2-pyridinyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 6467505
N-(5-bromo-2-pyridinyl)-2-[4-(cyclopropylmethylamino)piperidin-1-yl]acetamide
CID 119926681
N-(5-bromo-2-pyridinyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 55469538
N-(5-bromo-2-pyridinyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;dihydrochloride
CID 119928120
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(5-bromo-2-pyridinyl)acetamide;dihydrochloride
CID 120728422
N-(5-bromo-2-pyridinyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975239

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]acetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]acetamide (CID 63312780) is N-(5-bromo-2-pyridinyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]acetamide is O=C(CN1CCCN(CCO)CC1)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]acetamide?
The InChIKey is PFEXNPACBIIEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4O2/c15-12-2-3-13(16-10-12)17-14(21)11-19-5-1-4-18(6-7-19)8-9-20/h2-3,10,20H,1,4-9,11H2,(H,16,17,21).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]acetamide?
N-(5-bromo-2-pyridinyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]acetamide has a molecular weight of 357.25 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 63312780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).