N-(2,6-dichloro-4-pyridinyl)-2-[(1S,2S)-3-methylidene-2-[(Z)-pent-2-enyl]cyclopentyl]acetamide

C18H22Cl2N2O — CID 170315356

IUPACN-(2,6-dichloro-4-pyridinyl)-2-[(1S,2S)-3-methylidene-2-[(Z)-pent-2-enyl]cyclopentyl]acetamide
SMILESC=C1CC[C@@H](CC(=O)Nc2cc(Cl)nc(Cl)c2)[C@@H]1C/C=C\CC
InChIInChI=1S/C18H22Cl2N2O/c1-3-4-5-6-15-12(2)7-8-13(15)9-18(23)21-14-10-16(19)22-17(20)11-14/h4-5,10-11,13,15H,2-3,6-9H2,1H3,(H,21,22,23)/b5-4-/t13-,15+/m0/s1
InChIKeyFCZPGPURSJQIDS-LTIZXKLPSA-N
MW353.29 g/mol
LogP5.66
Rot. Bonds6

About N-(2,6-dichloro-4-pyridinyl)-2-[(1S,2S)-3-methylidene-2-[(Z)-pent-2-enyl]cyclopentyl]acetamide

N-(2,6-dichloro-4-pyridinyl)-2-[(1S,2S)-3-methylidene-2-[(Z)-pent-2-enyl]cyclopentyl]acetamide (PubChem CID 170315356) has the molecular formula C18H22Cl2N2O and a molecular weight of 353.29 g/mol. Its IUPAC name is N-(2,6-dichloro-4-pyridinyl)-2-[(1S,2S)-3-methylidene-2-[(Z)-pent-2-enyl]cyclopentyl]acetamide.

Molecular Properties

Compound NameN-(2,6-dichloro-4-pyridinyl)-2-[(1S,2S)-3-methylidene-2-[(Z)-pent-2-enyl]cyclopentyl]acetamide
PubChem CID170315356
Molecular FormulaC18H22Cl2N2O
Molecular Weight353.29 g/mol
Exact Mass352.11
IUPAC NameN-(2,6-dichloro-4-pyridinyl)-2-[(1S,2S)-3-methylidene-2-[(Z)-pent-2-enyl]cyclopentyl]acetamide
SMILESC=C1CC[C@@H](CC(=O)Nc2cc(Cl)nc(Cl)c2)[C@@H]1C/C=C\CC
InChIInChI=1S/C18H22Cl2N2O/c1-3-4-5-6-15-12(2)7-8-13(15)9-18(23)21-14-10-16(19)22-17(20)11-14/h4-5,10-11,13,15H,2-3,6-9H2,1H3,(H,21,22,23)/b5-4-/t13-,15+/m0/s1
InChIKeyFCZPGPURSJQIDS-LTIZXKLPSA-N
XLogP5.66
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.29
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-4-pyridinyl)-2-[(1S,2S)-3-methylidene-2-[(Z)-pent-2-enyl]cyclopentyl]acetamide?
The IUPAC name of N-(2,6-dichloro-4-pyridinyl)-2-[(1S,2S)-3-methylidene-2-[(Z)-pent-2-enyl]cyclopentyl]acetamide (CID 170315356) is N-(2,6-dichloro-4-pyridinyl)-2-[(1S,2S)-3-methylidene-2-[(Z)-pent-2-enyl]cyclopentyl]acetamide.
What is the SMILES notation for N-(2,6-dichloro-4-pyridinyl)-2-[(1S,2S)-3-methylidene-2-[(Z)-pent-2-enyl]cyclopentyl]acetamide?
The canonical SMILES for N-(2,6-dichloro-4-pyridinyl)-2-[(1S,2S)-3-methylidene-2-[(Z)-pent-2-enyl]cyclopentyl]acetamide is C=C1CC[C@@H](CC(=O)Nc2cc(Cl)nc(Cl)c2)[C@@H]1C/C=C\CC.
What is the InChIKey of N-(2,6-dichloro-4-pyridinyl)-2-[(1S,2S)-3-methylidene-2-[(Z)-pent-2-enyl]cyclopentyl]acetamide?
The InChIKey is FCZPGPURSJQIDS-LTIZXKLPSA-N. The full InChI is InChI=1S/C18H22Cl2N2O/c1-3-4-5-6-15-12(2)7-8-13(15)9-18(23)21-14-10-16(19)22-17(20)11-14/h4-5,10-11,13,15H,2-3,6-9H2,1H3,(H,21,22,23)/b5-4-/t13-,15+/m0/s1.
What are the key properties of N-(2,6-dichloro-4-pyridinyl)-2-[(1S,2S)-3-methylidene-2-[(Z)-pent-2-enyl]cyclopentyl]acetamide?
N-(2,6-dichloro-4-pyridinyl)-2-[(1S,2S)-3-methylidene-2-[(Z)-pent-2-enyl]cyclopentyl]acetamide has a molecular weight of 353.29 g/mol, XLogP of 5.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-4-pyridinyl)-2-[(1S,2S)-3-methylidene-2-[(Z)-pent-2-enyl]cyclopentyl]acetamide is sourced from PubChem (CID 170315356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).