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

C14H20BrN5O2 — CID 86913488

IUPAC4-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(CC(=O)Nc2ccc(Br)cn2)CC1
InChIInChI=1S/C14H20BrN5O2/c1-2-16-14(22)20-7-5-19(6-8-20)10-13(21)18-12-4-3-11(15)9-17-12/h3-4,9H,2,5-8,10H2,1H3,(H,16,22)(H,17,18,21)
InChIKeyHSRDKFUPFBGMHM-UHFFFAOYSA-N
MW370.25 g/mol
LogP1.13
Rot. Bonds4

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

4-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-ethylpiperazine-1-carboxamide (PubChem CID 86913488) 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-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-ethylpiperazine-1-carboxamide
PubChem CID86913488
Molecular FormulaC14H20BrN5O2
Molecular Weight370.25 g/mol
Exact Mass369.08
IUPAC Name4-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(CC(=O)Nc2ccc(Br)cn2)CC1
InChIInChI=1S/C14H20BrN5O2/c1-2-16-14(22)20-7-5-19(6-8-20)10-13(21)18-12-4-3-11(15)9-17-12/h3-4,9H,2,5-8,10H2,1H3,(H,16,22)(H,17,18,21)
InChIKeyHSRDKFUPFBGMHM-UHFFFAOYSA-N
XLogP1.13
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-pyridinyl)-4-ethylpiperazine-1-carboxamide
CID 127586556
4-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 37206607
N-(5-bromo-2-pyridinyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 17066616
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-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)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195869
N-(5-bromo-2-pyridinyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 6467505
4-(5-bromopyrimidin-2-yl)-N-ethylpiperazine-1-carboxamide
CID 47252261
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-(cyclopropylmethylamino)piperidin-1-yl]acetamide
CID 119926681

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-ethylpiperazine-1-carboxamide (CID 86913488) is 4-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(CC(=O)Nc2ccc(Br)cn2)CC1.
What is the InChIKey of 4-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-ethylpiperazine-1-carboxamide?
The InChIKey is HSRDKFUPFBGMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN5O2/c1-2-16-14(22)20-7-5-19(6-8-20)10-13(21)18-12-4-3-11(15)9-17-12/h3-4,9H,2,5-8,10H2,1H3,(H,16,22)(H,17,18,21).
What are the key properties of 4-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-ethylpiperazine-1-carboxamide?
4-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-ethylpiperazine-1-carboxamide has a molecular weight of 370.25 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 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-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 86913488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).