N-[(E)-2-(2-bromophenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide

C18H19BrN4O — CID 108905249

IUPACN-[(E)-2-(2-bromophenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(N/C=C/c1ccccc1Br)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H19BrN4O/c19-16-6-2-1-5-15(16)8-10-21-18(24)23-13-11-22(12-14-23)17-7-3-4-9-20-17/h1-10H,11-14H2,(H,21,24)/b10-8+
InChIKeyXRYSWLUZDJYXHN-CSKARUKUSA-N
MW387.28 g/mol
LogP3.35
Rot. Bonds3

About N-[(E)-2-(2-bromophenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide

N-[(E)-2-(2-bromophenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 108905249) has the molecular formula C18H19BrN4O and a molecular weight of 387.28 g/mol. Its IUPAC name is N-[(E)-2-(2-bromophenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-2-(2-bromophenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID108905249
Molecular FormulaC18H19BrN4O
Molecular Weight387.28 g/mol
Exact Mass386.07
IUPAC NameN-[(E)-2-(2-bromophenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(N/C=C/c1ccccc1Br)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H19BrN4O/c19-16-6-2-1-5-15(16)8-10-21-18(24)23-13-11-22(12-14-23)17-7-3-4-9-20-17/h1-10H,11-14H2,(H,21,24)/b10-8+
InChIKeyXRYSWLUZDJYXHN-CSKARUKUSA-N
XLogP3.35
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(E)-2-(2-fluorophenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108904506
N-[(E)-2-cyclohexylethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108912309
N-[(E)-2-(2-bromophenyl)ethenyl]-4-methylpiperidine-1-carboxamide
CID 108904972
N-[(E)-2-(3-methoxyphenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108905995
N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 735809
(E)-3-(2-chlorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 966115
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
3-(3-bromophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 4076573
(E)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-quinolin-8-ylprop-2-en-1-one
CID 47019082
N-pentan-3-yl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 47151884
N-(4-aminophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108897073
N-[(1R,2S)-2-methylcyclohexyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 51642051

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(2-bromophenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[(E)-2-(2-bromophenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide (CID 108905249) is N-[(E)-2-(2-bromophenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(E)-2-(2-bromophenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[(E)-2-(2-bromophenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide is O=C(N/C=C/c1ccccc1Br)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[(E)-2-(2-bromophenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is XRYSWLUZDJYXHN-CSKARUKUSA-N. The full InChI is InChI=1S/C18H19BrN4O/c19-16-6-2-1-5-15(16)8-10-21-18(24)23-13-11-22(12-14-23)17-7-3-4-9-20-17/h1-10H,11-14H2,(H,21,24)/b10-8+.
What are the key properties of N-[(E)-2-(2-bromophenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
N-[(E)-2-(2-bromophenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 387.28 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(2-bromophenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 108905249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).