N-(4-bromophenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide

C17H16BrN5O — CID 139532064

IUPACN-(4-bromophenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide
SMILESN#Cc1ccc(N2CCN(C(=O)Nc3ccc(Br)cc3)CC2)nc1
InChIInChI=1S/C17H16BrN5O/c18-14-2-4-15(5-3-14)21-17(24)23-9-7-22(8-10-23)16-6-1-13(11-19)12-20-16/h1-6,12H,7-10H2,(H,21,24)
InChIKeyDROSYCBDWSZFSV-UHFFFAOYSA-N
MW386.25 g/mol
LogP3.07
Rot. Bonds2

About N-(4-bromophenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide

N-(4-bromophenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide (PubChem CID 139532064) has the molecular formula C17H16BrN5O and a molecular weight of 386.25 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide
PubChem CID139532064
Molecular FormulaC17H16BrN5O
Molecular Weight386.25 g/mol
Exact Mass385.05
IUPAC NameN-(4-bromophenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide
SMILESN#Cc1ccc(N2CCN(C(=O)Nc3ccc(Br)cc3)CC2)nc1
InChIInChI=1S/C17H16BrN5O/c18-14-2-4-15(5-3-14)21-17(24)23-9-7-22(8-10-23)16-6-1-13(11-19)12-20-16/h1-6,12H,7-10H2,(H,21,24)
InChIKeyDROSYCBDWSZFSV-UHFFFAOYSA-N
XLogP3.07
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-bromophenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide (CID 139532064) is N-(4-bromophenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide is N#Cc1ccc(N2CCN(C(=O)Nc3ccc(Br)cc3)CC2)nc1.
What is the InChIKey of N-(4-bromophenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide?
The InChIKey is DROSYCBDWSZFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN5O/c18-14-2-4-15(5-3-14)21-17(24)23-9-7-22(8-10-23)16-6-1-13(11-19)12-20-16/h1-6,12H,7-10H2,(H,21,24).
What are the key properties of N-(4-bromophenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide?
N-(4-bromophenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide has a molecular weight of 386.25 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 139532064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).