N-(5-bromo-2-pyridinyl)-4-ethylpiperazine-1-carboxamide

C12H17BrN4O — CID 127586556

IUPACN-(5-bromo-2-pyridinyl)-4-ethylpiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)Nc2ccc(Br)cn2)CC1
InChIInChI=1S/C12H17BrN4O/c1-2-16-5-7-17(8-6-16)12(18)15-11-4-3-10(13)9-14-11/h3-4,9H,2,5-8H2,1H3,(H,14,15,18)
InChIKeyJNRIHTHIVWDVDA-UHFFFAOYSA-N
MW313.20 g/mol
LogP2.01
Rot. Bonds2

About N-(5-bromo-2-pyridinyl)-4-ethylpiperazine-1-carboxamide

N-(5-bromo-2-pyridinyl)-4-ethylpiperazine-1-carboxamide (PubChem CID 127586556) has the molecular formula C12H17BrN4O and a molecular weight of 313.20 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-4-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-4-ethylpiperazine-1-carboxamide
PubChem CID127586556
Molecular FormulaC12H17BrN4O
Molecular Weight313.20 g/mol
Exact Mass312.06
IUPAC NameN-(5-bromo-2-pyridinyl)-4-ethylpiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)Nc2ccc(Br)cn2)CC1
InChIInChI=1S/C12H17BrN4O/c1-2-16-5-7-17(8-6-16)12(18)15-11-4-3-10(13)9-14-11/h3-4,9H,2,5-8H2,1H3,(H,14,15,18)
InChIKeyJNRIHTHIVWDVDA-UHFFFAOYSA-N
XLogP2.01
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-ethylpiperazine-1-carboxamide
CID 86913488
N-(5-bromo-2-pyridinyl)-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide
CID 99593327
4-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 37206607
N-(5-bromo-2-pyridinyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975239
N-(5-bromo-2-pyridinyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 17066616
(9aS)-N-(5-bromo-2-pyridinyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 97352884
N-(5-chloro-2-pyridinyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 4692251
tert-butyl 4-[(5-bromo-2-pyridinyl)carbamoyl]-2-methylpiperazine-1-carboxylate
CID 171663316
tert-butyl (2S)-4-[(5-bromo-2-pyridinyl)carbamoyl]-2-methylpiperazine-1-carboxylate
CID 171663318
N-(5-bromo-2-pyridinyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 115305446
N-(5-bromo-2-pyridinyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]acetamide
CID 63312780
N-[4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]-4-ethylpiperazine-1-carboxamide
CID 86275152

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-4-ethylpiperazine-1-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-4-ethylpiperazine-1-carboxamide (CID 127586556) is N-(5-bromo-2-pyridinyl)-4-ethylpiperazine-1-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-4-ethylpiperazine-1-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-4-ethylpiperazine-1-carboxamide is CCN1CCN(C(=O)Nc2ccc(Br)cn2)CC1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-4-ethylpiperazine-1-carboxamide?
The InChIKey is JNRIHTHIVWDVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4O/c1-2-16-5-7-17(8-6-16)12(18)15-11-4-3-10(13)9-14-11/h3-4,9H,2,5-8H2,1H3,(H,14,15,18).
What are the key properties of N-(5-bromo-2-pyridinyl)-4-ethylpiperazine-1-carboxamide?
N-(5-bromo-2-pyridinyl)-4-ethylpiperazine-1-carboxamide has a molecular weight of 313.20 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-4-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 127586556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).