N-cyclopropyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridine-2-carboxamide

C22H26N4O — CID 56862788

IUPACN-cyclopropyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESO=C(NC1CC1)c1cc(N2CCN(C/C=C/c3ccccc3)CC2)ccn1
InChIInChI=1S/C22H26N4O/c27-22(24-19-8-9-19)21-17-20(10-11-23-21)26-15-13-25(14-16-26)12-4-7-18-5-2-1-3-6-18/h1-7,10-11,17,19H,8-9,12-16H2,(H,24,27)/b7-4+
InChIKeyDGVYYZTVWQMUKE-QPJJXVBHSA-N
MW362.48 g/mol
LogP2.81
Rot. Bonds6

About N-cyclopropyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridine-2-carboxamide

N-cyclopropyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 56862788) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-cyclopropyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridine-2-carboxamide
PubChem CID56862788
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-cyclopropyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESO=C(NC1CC1)c1cc(N2CCN(C/C=C/c3ccccc3)CC2)ccn1
InChIInChI=1S/C22H26N4O/c27-22(24-19-8-9-19)21-17-20(10-11-23-21)26-15-13-25(14-16-26)12-4-7-18-5-2-1-3-6-18/h1-7,10-11,17,19H,8-9,12-16H2,(H,24,27)/b7-4+
InChIKeyDGVYYZTVWQMUKE-QPJJXVBHSA-N
XLogP2.81
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridine-2-carboxamide
CID 109207136
4-(4-acetylpiperazin-1-yl)-N-cyclopropylpyridine-2-carboxamide
CID 109201701
N-cyclopropyl-1-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]triazole-4-carboxamide
CID 26319284
N-cyclopentyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 29028952
N-cyclopentyl-3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 108942180
oxalic acid;1-phenyl-4-(3-phenylprop-2-enyl)piperazine
CID 171151210
[2-(cyclopropylamino)pyrimidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 109295584
N-cyclopropyl-4-[3-oxo-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]prop-1-enyl]benzamide
CID 76860309
N-(4-hydroxycyclohexyl)-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide
CID 91942292
4-(4-acetylpiperazin-1-yl)-N-cyclohexylpyridine-2-carboxamide
CID 109204747
N-pentyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine-4-carboxamide
CID 109310482
(4-phenylpiperazin-1-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 108989523

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridine-2-carboxamide (CID 56862788) is N-cyclopropyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridine-2-carboxamide is O=C(NC1CC1)c1cc(N2CCN(C/C=C/c3ccccc3)CC2)ccn1.
What is the InChIKey of N-cyclopropyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is DGVYYZTVWQMUKE-QPJJXVBHSA-N. The full InChI is InChI=1S/C22H26N4O/c27-22(24-19-8-9-19)21-17-20(10-11-23-21)26-15-13-25(14-16-26)12-4-7-18-5-2-1-3-6-18/h1-7,10-11,17,19H,8-9,12-16H2,(H,24,27)/b7-4+.
What are the key properties of N-cyclopropyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridine-2-carboxamide?
N-cyclopropyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 56862788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).