(E)-N-[6-[4-(2-hydroxypropyl)piperazin-1-yl]-3-pyridinyl]-3-phenylprop-2-enamide

C21H26N4O2 — CID 42850310

IUPAC(E)-N-[6-[4-(2-hydroxypropyl)piperazin-1-yl]-3-pyridinyl]-3-phenylprop-2-enamide
SMILESCC(O)CN1CCN(c2ccc(NC(=O)/C=C/c3ccccc3)cn2)CC1
InChIInChI=1S/C21H26N4O2/c1-17(26)16-24-11-13-25(14-12-24)20-9-8-19(15-22-20)23-21(27)10-7-18-5-3-2-4-6-18/h2-10,15,17,26H,11-14,16H2,1H3,(H,23,27)/b10-7+
InChIKeyZGSCUKWZBWPSJK-JXMROGBWSA-N
MW366.47 g/mol
LogP2.24
Rot. Bonds6

About (E)-N-[6-[4-(2-hydroxypropyl)piperazin-1-yl]-3-pyridinyl]-3-phenylprop-2-enamide

(E)-N-[6-[4-(2-hydroxypropyl)piperazin-1-yl]-3-pyridinyl]-3-phenylprop-2-enamide (PubChem CID 42850310) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is (E)-N-[6-[4-(2-hydroxypropyl)piperazin-1-yl]-3-pyridinyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[6-[4-(2-hydroxypropyl)piperazin-1-yl]-3-pyridinyl]-3-phenylprop-2-enamide
PubChem CID42850310
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name(E)-N-[6-[4-(2-hydroxypropyl)piperazin-1-yl]-3-pyridinyl]-3-phenylprop-2-enamide
SMILESCC(O)CN1CCN(c2ccc(NC(=O)/C=C/c3ccccc3)cn2)CC1
InChIInChI=1S/C21H26N4O2/c1-17(26)16-24-11-13-25(14-12-24)20-9-8-19(15-22-20)23-21(27)10-7-18-5-3-2-4-6-18/h2-10,15,17,26H,11-14,16H2,1H3,(H,23,27)/b10-7+
InChIKeyZGSCUKWZBWPSJK-JXMROGBWSA-N
XLogP2.24
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[6-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3-pyridinyl]-3-phenylprop-2-enamide
CID 42850313
(E)-3-phenyl-N-[6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]prop-2-enamide
CID 42857400
(E)-N-[2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 55585362
(E)-3-phenyl-N-[6-[4-(thiophene-2-carbonyl)piperazin-1-yl]-3-pyridinyl]prop-2-enamide
CID 46042022
2-fluoro-N-[6-[4-(2-hydroxypropyl)-1,4-diazepan-1-yl]-3-pyridinyl]benzamide
CID 42857888
(E)-N-[6-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-3-phenylprop-2-enamide
CID 46053202
N-[6-[4-(2-hydroxypropyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-(trifluoromethyl)benzamide
CID 42857932
N-methyl-4-[(E)-3-oxo-3-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]prop-1-enyl]benzamide
CID 46450744
6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 133486045
N-[6-[4-(2-hydroxybutyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenylacetamide
CID 42857905
2-fluoro-N-[6-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 42857382
(E)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 17415370

Frequently Asked Questions

What is the IUPAC name of (E)-N-[6-[4-(2-hydroxypropyl)piperazin-1-yl]-3-pyridinyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[6-[4-(2-hydroxypropyl)piperazin-1-yl]-3-pyridinyl]-3-phenylprop-2-enamide (CID 42850310) is (E)-N-[6-[4-(2-hydroxypropyl)piperazin-1-yl]-3-pyridinyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[6-[4-(2-hydroxypropyl)piperazin-1-yl]-3-pyridinyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[6-[4-(2-hydroxypropyl)piperazin-1-yl]-3-pyridinyl]-3-phenylprop-2-enamide is CC(O)CN1CCN(c2ccc(NC(=O)/C=C/c3ccccc3)cn2)CC1.
What is the InChIKey of (E)-N-[6-[4-(2-hydroxypropyl)piperazin-1-yl]-3-pyridinyl]-3-phenylprop-2-enamide?
The InChIKey is ZGSCUKWZBWPSJK-JXMROGBWSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-17(26)16-24-11-13-25(14-12-24)20-9-8-19(15-22-20)23-21(27)10-7-18-5-3-2-4-6-18/h2-10,15,17,26H,11-14,16H2,1H3,(H,23,27)/b10-7+.
What are the key properties of (E)-N-[6-[4-(2-hydroxypropyl)piperazin-1-yl]-3-pyridinyl]-3-phenylprop-2-enamide?
(E)-N-[6-[4-(2-hydroxypropyl)piperazin-1-yl]-3-pyridinyl]-3-phenylprop-2-enamide has a molecular weight of 366.47 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[6-[4-(2-hydroxypropyl)piperazin-1-yl]-3-pyridinyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 42850310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).