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

C23H31N5O — CID 109207136

IUPACN-[2-(dimethylamino)ethyl]-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1cc(N2CCN(C/C=C/c3ccccc3)CC2)ccn1
InChIInChI=1S/C23H31N5O/c1-26(2)14-12-25-23(29)22-19-21(10-11-24-22)28-17-15-27(16-18-28)13-6-9-20-7-4-3-5-8-20/h3-11,19H,12-18H2,1-2H3,(H,25,29)/b9-6+
InChIKeyOWVOGBNDDJATME-RMKNXTFCSA-N
MW393.54 g/mol
LogP2.21
Rot. Bonds8

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

N-[2-(dimethylamino)ethyl]-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 109207136) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridine-2-carboxamide
PubChem CID109207136
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC NameN-[2-(dimethylamino)ethyl]-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)c1cc(N2CCN(C/C=C/c3ccccc3)CC2)ccn1
InChIInChI=1S/C23H31N5O/c1-26(2)14-12-25-23(29)22-19-21(10-11-24-22)28-17-15-27(16-18-28)13-6-9-20-7-4-3-5-8-20/h3-11,19H,12-18H2,1-2H3,(H,25,29)/b9-6+
InChIKeyOWVOGBNDDJATME-RMKNXTFCSA-N
XLogP2.21
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridine-2-carboxamide
CID 56862788
N-[2-(dimethylamino)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203811
N-[2-(dimethylamino)ethyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 109207121
N-[2-(dimethylamino)ethyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 108994619
N-pentyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine-4-carboxamide
CID 109310482
N-[3-(dimethylamino)propyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 109016909
6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide
CID 109109268
4-[[4-chloro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 42765106
4-(4-phenylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide
CID 109202122
oxalic acid;1-phenyl-4-(3-phenylprop-2-enyl)piperazine
CID 171151210
N-(2-methoxyethyl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 109113954
4-(4-formylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109208875

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridine-2-carboxamide (CID 109207136) is N-[2-(dimethylamino)ethyl]-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridine-2-carboxamide is CN(C)CCNC(=O)c1cc(N2CCN(C/C=C/c3ccccc3)CC2)ccn1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is OWVOGBNDDJATME-RMKNXTFCSA-N. The full InChI is InChI=1S/C23H31N5O/c1-26(2)14-12-25-23(29)22-19-21(10-11-24-22)28-17-15-27(16-18-28)13-6-9-20-7-4-3-5-8-20/h3-11,19H,12-18H2,1-2H3,(H,25,29)/b9-6+.
What are the key properties of N-[2-(dimethylamino)ethyl]-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridine-2-carboxamide?
N-[2-(dimethylamino)ethyl]-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 393.54 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 109207136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).