(E)-N-(5-piperidin-1-yl-2-pyridinyl)-3-thiophen-3-ylprop-2-enamide

C17H19N3OS — CID 60576852

IUPAC(E)-N-(5-piperidin-1-yl-2-pyridinyl)-3-thiophen-3-ylprop-2-enamide
SMILESO=C(/C=C/c1ccsc1)Nc1ccc(N2CCCCC2)cn1
InChIInChI=1S/C17H19N3OS/c21-17(7-4-14-8-11-22-13-14)19-16-6-5-15(12-18-16)20-9-2-1-3-10-20/h4-8,11-13H,1-3,9-10H2,(H,18,19,21)/b7-4+
InChIKeyWCTGETHDFOBQFF-QPJJXVBHSA-N
MW313.43 g/mol
LogP3.79
Rot. Bonds4

About (E)-N-(5-piperidin-1-yl-2-pyridinyl)-3-thiophen-3-ylprop-2-enamide

(E)-N-(5-piperidin-1-yl-2-pyridinyl)-3-thiophen-3-ylprop-2-enamide (PubChem CID 60576852) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is (E)-N-(5-piperidin-1-yl-2-pyridinyl)-3-thiophen-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-piperidin-1-yl-2-pyridinyl)-3-thiophen-3-ylprop-2-enamide
PubChem CID60576852
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name(E)-N-(5-piperidin-1-yl-2-pyridinyl)-3-thiophen-3-ylprop-2-enamide
SMILESO=C(/C=C/c1ccsc1)Nc1ccc(N2CCCCC2)cn1
InChIInChI=1S/C17H19N3OS/c21-17(7-4-14-8-11-22-13-14)19-16-6-5-15(12-18-16)20-9-2-1-3-10-20/h4-8,11-13H,1-3,9-10H2,(H,18,19,21)/b7-4+
InChIKeyWCTGETHDFOBQFF-QPJJXVBHSA-N
XLogP3.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-pyrrolidin-1-yl-2-pyridinyl)thiophene-3-carboxamide
CID 32949158
3-(3-nitrophenyl)-N-(5-piperidin-1-yl-2-pyridinyl)prop-2-enamide
CID 76869597
2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(5-piperidin-1-yl-2-pyridinyl)propanamide
CID 78878117
(E)-N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-3-ylprop-2-enamide
CID 30269722
2-N,5-N-bis(5-piperidin-1-yl-2-pyridinyl)thiophene-2,5-dicarboxamide
CID 112827563
N-[5-(azepan-1-yl)-2-pyridinyl]propanamide
CID 39072195
N-[5-(azepan-1-yl)-2-pyridinyl]cyclobutanecarboxamide
CID 113031088
1-amino-N-(5-piperidin-1-yl-2-pyridinyl)cyclohexane-1-carboxamide
CID 119855685
1-[(E)-3-phenylprop-2-enoyl]-N-(5-pyrrolidin-1-yl-2-pyridinyl)piperidine-4-carboxamide
CID 32951936
(2R)-2-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide
CID 94809238
2-chloro-N-(5-piperidin-1-yl-2-pyridinyl)benzamide
CID 113024603
(2S)-2-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide
CID 94809239

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-piperidin-1-yl-2-pyridinyl)-3-thiophen-3-ylprop-2-enamide?
The IUPAC name of (E)-N-(5-piperidin-1-yl-2-pyridinyl)-3-thiophen-3-ylprop-2-enamide (CID 60576852) is (E)-N-(5-piperidin-1-yl-2-pyridinyl)-3-thiophen-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(5-piperidin-1-yl-2-pyridinyl)-3-thiophen-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-(5-piperidin-1-yl-2-pyridinyl)-3-thiophen-3-ylprop-2-enamide is O=C(/C=C/c1ccsc1)Nc1ccc(N2CCCCC2)cn1.
What is the InChIKey of (E)-N-(5-piperidin-1-yl-2-pyridinyl)-3-thiophen-3-ylprop-2-enamide?
The InChIKey is WCTGETHDFOBQFF-QPJJXVBHSA-N. The full InChI is InChI=1S/C17H19N3OS/c21-17(7-4-14-8-11-22-13-14)19-16-6-5-15(12-18-16)20-9-2-1-3-10-20/h4-8,11-13H,1-3,9-10H2,(H,18,19,21)/b7-4+.
What are the key properties of (E)-N-(5-piperidin-1-yl-2-pyridinyl)-3-thiophen-3-ylprop-2-enamide?
(E)-N-(5-piperidin-1-yl-2-pyridinyl)-3-thiophen-3-ylprop-2-enamide has a molecular weight of 313.43 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-piperidin-1-yl-2-pyridinyl)-3-thiophen-3-ylprop-2-enamide is sourced from PubChem (CID 60576852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).