2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(5-piperidin-1-yl-2-pyridinyl)propanamide

C23H28N4O3 — CID 78878117

IUPAC2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(5-piperidin-1-yl-2-pyridinyl)propanamide
SMILESCOc1ccc(/C=C/C(=O)NC(C)C(=O)Nc2ccc(N3CCCCC3)cn2)cc1
InChIInChI=1S/C23H28N4O3/c1-17(25-22(28)13-8-18-6-10-20(30-2)11-7-18)23(29)26-21-12-9-19(16-24-21)27-14-4-3-5-15-27/h6-13,16-17H,3-5,14-15H2,1-2H3,(H,25,28)(H,24,26,29)/b13-8+
InChIKeyGGDJXTRQEHUAND-MDWZMJQESA-N
MW408.50 g/mol
LogP3.24
Rot. Bonds7

About 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(5-piperidin-1-yl-2-pyridinyl)propanamide

2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(5-piperidin-1-yl-2-pyridinyl)propanamide (PubChem CID 78878117) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(5-piperidin-1-yl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(5-piperidin-1-yl-2-pyridinyl)propanamide
PubChem CID78878117
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(5-piperidin-1-yl-2-pyridinyl)propanamide
SMILESCOc1ccc(/C=C/C(=O)NC(C)C(=O)Nc2ccc(N3CCCCC3)cn2)cc1
InChIInChI=1S/C23H28N4O3/c1-17(25-22(28)13-8-18-6-10-20(30-2)11-7-18)23(29)26-21-12-9-19(16-24-21)27-14-4-3-5-15-27/h6-13,16-17H,3-5,14-15H2,1-2H3,(H,25,28)(H,24,26,29)/b13-8+
InChIKeyGGDJXTRQEHUAND-MDWZMJQESA-N
XLogP3.24
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.24
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

N-[5-(azepan-1-yl)-2-pyridinyl]-4-methoxybenzamide
CID 39072257
1-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55809815
(E)-N-(5-piperidin-1-yl-2-pyridinyl)-3-thiophen-3-ylprop-2-enamide
CID 60576852
2-ethyl-N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]butanamide
CID 113031151
2,3-dichloro-N-[1-oxo-1-[(5-piperidin-1-yl-2-pyridinyl)amino]propan-2-yl]benzamide
CID 78901120
2-(5-methoxyindol-1-yl)-N-(5-piperidin-1-yl-2-pyridinyl)acetamide
CID 78878201
(E)-N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide
CID 51166216
(2R)-2-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide
CID 94809238
(2S)-2-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide
CID 94809239
N-(4-methoxyphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51161656
2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide
CID 91943875
2-ethyl-N-(5-piperidin-1-yl-2-pyridinyl)butanamide
CID 113024566

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(5-piperidin-1-yl-2-pyridinyl)propanamide?
The IUPAC name of 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(5-piperidin-1-yl-2-pyridinyl)propanamide (CID 78878117) is 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(5-piperidin-1-yl-2-pyridinyl)propanamide.
What is the SMILES notation for 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(5-piperidin-1-yl-2-pyridinyl)propanamide?
The canonical SMILES for 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(5-piperidin-1-yl-2-pyridinyl)propanamide is COc1ccc(/C=C/C(=O)NC(C)C(=O)Nc2ccc(N3CCCCC3)cn2)cc1.
What is the InChIKey of 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(5-piperidin-1-yl-2-pyridinyl)propanamide?
The InChIKey is GGDJXTRQEHUAND-MDWZMJQESA-N. The full InChI is InChI=1S/C23H28N4O3/c1-17(25-22(28)13-8-18-6-10-20(30-2)11-7-18)23(29)26-21-12-9-19(16-24-21)27-14-4-3-5-15-27/h6-13,16-17H,3-5,14-15H2,1-2H3,(H,25,28)(H,24,26,29)/b13-8+.
What are the key properties of 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(5-piperidin-1-yl-2-pyridinyl)propanamide?
2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(5-piperidin-1-yl-2-pyridinyl)propanamide has a molecular weight of 408.50 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(5-piperidin-1-yl-2-pyridinyl)propanamide is sourced from PubChem (CID 78878117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).