N-(3-methyl-2-pyridinyl)-1-[(E)-3-naphthalen-1-ylprop-2-enoyl]piperidine-3-carboxamide

C25H25N3O2 — CID 55895162

IUPACN-(3-methyl-2-pyridinyl)-1-[(E)-3-naphthalen-1-ylprop-2-enoyl]piperidine-3-carboxamide
SMILESCc1cccnc1NC(=O)C1CCCN(C(=O)/C=C/c2cccc3ccccc23)C1
InChIInChI=1S/C25H25N3O2/c1-18-7-5-15-26-24(18)27-25(30)21-11-6-16-28(17-21)23(29)14-13-20-10-4-9-19-8-2-3-12-22(19)20/h2-5,7-10,12-15,21H,6,11,16-17H2,1H3,(H,26,27,30)/b14-13+
InChIKeyMOAQLUYDHXEGLI-BUHFOSPRSA-N
MW399.49 g/mol
LogP4.43
Rot. Bonds4

About N-(3-methyl-2-pyridinyl)-1-[(E)-3-naphthalen-1-ylprop-2-enoyl]piperidine-3-carboxamide

N-(3-methyl-2-pyridinyl)-1-[(E)-3-naphthalen-1-ylprop-2-enoyl]piperidine-3-carboxamide (PubChem CID 55895162) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-1-[(E)-3-naphthalen-1-ylprop-2-enoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-1-[(E)-3-naphthalen-1-ylprop-2-enoyl]piperidine-3-carboxamide
PubChem CID55895162
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC NameN-(3-methyl-2-pyridinyl)-1-[(E)-3-naphthalen-1-ylprop-2-enoyl]piperidine-3-carboxamide
SMILESCc1cccnc1NC(=O)C1CCCN(C(=O)/C=C/c2cccc3ccccc23)C1
InChIInChI=1S/C25H25N3O2/c1-18-7-5-15-26-24(18)27-25(30)21-11-6-16-28(17-21)23(29)14-13-20-10-4-9-19-8-2-3-12-22(19)20/h2-5,7-10,12-15,21H,6,11,16-17H2,1H3,(H,26,27,30)/b14-13+
InChIKeyMOAQLUYDHXEGLI-BUHFOSPRSA-N
XLogP4.43
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-methyl-2-pyridinyl)-1-[(E)-3-naphthalen-1-ylprop-2-enoyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-[3-(2,5-dichlorophenyl)prop-2-enoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895665
1-N-cyclooctyl-3-N-(3-methyl-2-pyridinyl)piperidine-1,3-dicarboxamide
CID 71889679
1-(1-methylindole-2-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55896436
(3R)-1-(1-methylindole-3-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 52514561
(3R)-1-(1H-indazole-7-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 52503770
(3S)-N-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 25352704
1-(2-benzhydryloxyacetyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895787
1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895414
1-(2-benzamido-3-methylbutanoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55896170
1-(2-chloropyridine-4-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895416
(E)-1-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-naphthalen-1-ylprop-2-en-1-one
CID 46409969
1-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide
CID 42925478

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)-1-[(E)-3-naphthalen-1-ylprop-2-enoyl]piperidine-3-carboxamide?
The IUPAC name of N-(3-methyl-2-pyridinyl)-1-[(E)-3-naphthalen-1-ylprop-2-enoyl]piperidine-3-carboxamide (CID 55895162) is N-(3-methyl-2-pyridinyl)-1-[(E)-3-naphthalen-1-ylprop-2-enoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-1-[(E)-3-naphthalen-1-ylprop-2-enoyl]piperidine-3-carboxamide?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-1-[(E)-3-naphthalen-1-ylprop-2-enoyl]piperidine-3-carboxamide is Cc1cccnc1NC(=O)C1CCCN(C(=O)/C=C/c2cccc3ccccc23)C1.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-1-[(E)-3-naphthalen-1-ylprop-2-enoyl]piperidine-3-carboxamide?
The InChIKey is MOAQLUYDHXEGLI-BUHFOSPRSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-18-7-5-15-26-24(18)27-25(30)21-11-6-16-28(17-21)23(29)14-13-20-10-4-9-19-8-2-3-12-22(19)20/h2-5,7-10,12-15,21H,6,11,16-17H2,1H3,(H,26,27,30)/b14-13+.
What are the key properties of N-(3-methyl-2-pyridinyl)-1-[(E)-3-naphthalen-1-ylprop-2-enoyl]piperidine-3-carboxamide?
N-(3-methyl-2-pyridinyl)-1-[(E)-3-naphthalen-1-ylprop-2-enoyl]piperidine-3-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)-1-[(E)-3-naphthalen-1-ylprop-2-enoyl]piperidine-3-carboxamide is sourced from PubChem (CID 55895162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).