3-[[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide

C21H24BrN5O2 — CID 37408790

IUPAC3-[[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide
SMILESO=C(CN1CCN(c2ccc(Br)cn2)CC1)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C21H24BrN5O2/c22-16-4-7-19(23-13-16)27-10-8-26(9-11-27)14-20(28)24-18-3-1-2-15(12-18)21(29)25-17-5-6-17/h1-4,7,12-13,17H,5-6,8-11,14H2,(H,24,28)(H,25,29)
InChIKeyJRNYMZYSBRKXGS-UHFFFAOYSA-N
MW458.36 g/mol
LogP2.50
Rot. Bonds6

About 3-[[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide

3-[[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide (PubChem CID 37408790) has the molecular formula C21H24BrN5O2 and a molecular weight of 458.36 g/mol. Its IUPAC name is 3-[[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-[[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide
PubChem CID37408790
Molecular FormulaC21H24BrN5O2
Molecular Weight458.36 g/mol
Exact Mass457.11
IUPAC Name3-[[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide
SMILESO=C(CN1CCN(c2ccc(Br)cn2)CC1)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C21H24BrN5O2/c22-16-4-7-19(23-13-16)27-10-8-26(9-11-27)14-20(28)24-18-3-1-2-15(12-18)21(29)25-17-5-6-17/h1-4,7,12-13,17H,5-6,8-11,14H2,(H,24,28)(H,25,29)
InChIKeyJRNYMZYSBRKXGS-UHFFFAOYSA-N
XLogP2.50
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.36
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide with MolForge

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Related Compounds

3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide
CID 119908377
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-chlorophenyl)acetamide
CID 37406520
N-cyclopropyl-3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide
CID 119906484
N-cyclopropyl-3-[[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]acetyl]amino]benzamide
CID 24665509
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 37406662
N-cyclopropyl-3-[[2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide
CID 30704619
N-[1-[2-(3-methylanilino)-2-oxoethyl]piperidin-4-yl]pyridine-3-carboxamide
CID 3727872
N-cyclopropyl-3-[[2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetyl]amino]benzamide
CID 43048679
(2S)-1-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910364
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 37407972
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 46429199
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide
CID 55811408

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide?
The IUPAC name of 3-[[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide (CID 37408790) is 3-[[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide.
What is the SMILES notation for 3-[[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide?
The canonical SMILES for 3-[[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide is O=C(CN1CCN(c2ccc(Br)cn2)CC1)Nc1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of 3-[[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide?
The InChIKey is JRNYMZYSBRKXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN5O2/c22-16-4-7-19(23-13-16)27-10-8-26(9-11-27)14-20(28)24-18-3-1-2-15(12-18)21(29)25-17-5-6-17/h1-4,7,12-13,17H,5-6,8-11,14H2,(H,24,28)(H,25,29).
What are the key properties of 3-[[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide?
3-[[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide has a molecular weight of 458.36 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide is sourced from PubChem (CID 37408790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).