N-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

C23H25N5O2 — CID 43073880

IUPACN-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
SMILESN#Cc1ccc(NCCNC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)nc1
InChIInChI=1S/C23H25N5O2/c24-16-19-6-8-21(27-17-19)25-12-13-26-23(30)20-10-14-28(15-11-20)22(29)9-7-18-4-2-1-3-5-18/h1-9,17,20H,10-15H2,(H,25,27)(H,26,30)/b9-7+
InChIKeyRFDPHMDCIIKRAU-VQHVLOKHSA-N
MW403.49 g/mol
LogP2.43
Rot. Bonds7

About N-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

N-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide (PubChem CID 43073880) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
PubChem CID43073880
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC NameN-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
SMILESN#Cc1ccc(NCCNC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)nc1
InChIInChI=1S/C23H25N5O2/c24-16-19-6-8-21(27-17-19)25-12-13-26-23(30)20-10-14-28(15-11-20)22(29)9-7-18-4-2-1-3-5-18/h1-9,17,20H,10-15H2,(H,25,27)(H,26,30)/b9-7+
InChIKeyRFDPHMDCIIKRAU-VQHVLOKHSA-N
XLogP2.43
TPSA98.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-3-phenylprop-2-enoyl]-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
CID 24644222
N-(3-methylbutyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26637084
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 103598368
1-[(E)-3-phenylprop-2-enoyl]-N-(5-pyrrolidin-1-yl-2-pyridinyl)piperidine-4-carboxamide
CID 32951936
1-[(E)-3-phenylprop-2-enoyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide
CID 30539816
N-(1-cyanocyclobutyl)-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 71883038
N-(1-cyanocyclobutyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 75364452
6-[2-[[2-(2-cyanoazetidin-1-yl)-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile
CID 66895451
N-(3-morpholin-4-ylpropyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 51155935
6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-3-carbonitrile
CID 115576194
N-cyclopropyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26693864
N-[3-(4-phenylpiperazin-1-yl)propyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 33134437

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide (CID 43073880) is N-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide is N#Cc1ccc(NCCNC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)nc1.
What is the InChIKey of N-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The InChIKey is RFDPHMDCIIKRAU-VQHVLOKHSA-N. The full InChI is InChI=1S/C23H25N5O2/c24-16-19-6-8-21(27-17-19)25-12-13-26-23(30)20-10-14-28(15-11-20)22(29)9-7-18-4-2-1-3-5-18/h1-9,17,20H,10-15H2,(H,25,27)(H,26,30)/b9-7+.
What are the key properties of N-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
N-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide is sourced from PubChem (CID 43073880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).