4-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide

C14H20BrN5O2 — CID 37206607

IUPAC4-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(CC(=O)Nc2ccc(Br)cn2)CC1
InChIInChI=1S/C14H20BrN5O2/c1-18(2)14(22)20-7-5-19(6-8-20)10-13(21)17-12-4-3-11(15)9-16-12/h3-4,9H,5-8,10H2,1-2H3,(H,16,17,21)
InChIKeyRCEVZCWKIKSIQX-UHFFFAOYSA-N
MW370.25 g/mol
LogP1.08
Rot. Bonds3

About 4-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide

4-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 37206607) has the molecular formula C14H20BrN5O2 and a molecular weight of 370.25 g/mol. Its IUPAC name is 4-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide
PubChem CID37206607
Molecular FormulaC14H20BrN5O2
Molecular Weight370.25 g/mol
Exact Mass369.08
IUPAC Name4-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(CC(=O)Nc2ccc(Br)cn2)CC1
InChIInChI=1S/C14H20BrN5O2/c1-18(2)14(22)20-7-5-19(6-8-20)10-13(21)17-12-4-3-11(15)9-16-12/h3-4,9H,5-8,10H2,1-2H3,(H,16,17,21)
InChIKeyRCEVZCWKIKSIQX-UHFFFAOYSA-N
XLogP1.08
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 17066616
N-(5-bromo-2-pyridinyl)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195869
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-(5-bromo-2-pyridinyl)-4-ethylpiperazine-1-carboxamide
CID 127586556
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-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 6467505
N-(5-bromo-2-pyridinyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;dihydrochloride
CID 119928120
N-(5-bromo-2-pyridinyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975239
N-(5-bromo-2-pyridinyl)-2-[4-(cyclopropylmethylamino)piperidin-1-yl]acetamide
CID 119926681
N-(5-bromo-2-pyridinyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 84591088

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide (CID 37206607) is 4-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide is CN(C)C(=O)N1CCN(CC(=O)Nc2ccc(Br)cn2)CC1.
What is the InChIKey of 4-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is RCEVZCWKIKSIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN5O2/c1-18(2)14(22)20-7-5-19(6-8-20)10-13(21)17-12-4-3-11(15)9-16-12/h3-4,9H,5-8,10H2,1-2H3,(H,16,17,21).
What are the key properties of 4-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide?
4-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 370.25 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 37206607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).