N-[5-chloro-4-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-2-[6-(1-cyanopiperidin-4-yl)-3-pyridinyl]acetamide

C24H29ClN6O2 — CID 170715420

IUPACN-[5-chloro-4-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-2-[6-(1-cyanopiperidin-4-yl)-3-pyridinyl]acetamide
SMILESCN1CCC(Oc2cc(NC(=O)Cc3ccc(C4CCN(C#N)CC4)nc3)ncc2Cl)CC1
InChIInChI=1S/C24H29ClN6O2/c1-30-8-6-19(7-9-30)33-22-13-23(28-15-20(22)25)29-24(32)12-17-2-3-21(27-14-17)18-4-10-31(16-26)11-5-18/h2-3,13-15,18-19H,4-12H2,1H3,(H,28,29,32)
InChIKeyLPDVGTMQEGZSKQ-UHFFFAOYSA-N
MW468.99 g/mol
LogP3.44
Rot. Bonds6

About N-[5-chloro-4-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-2-[6-(1-cyanopiperidin-4-yl)-3-pyridinyl]acetamide

N-[5-chloro-4-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-2-[6-(1-cyanopiperidin-4-yl)-3-pyridinyl]acetamide (PubChem CID 170715420) has the molecular formula C24H29ClN6O2 and a molecular weight of 468.99 g/mol. Its IUPAC name is N-[5-chloro-4-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-2-[6-(1-cyanopiperidin-4-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-chloro-4-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-2-[6-(1-cyanopiperidin-4-yl)-3-pyridinyl]acetamide
PubChem CID170715420
Molecular FormulaC24H29ClN6O2
Molecular Weight468.99 g/mol
Exact Mass468.20
IUPAC NameN-[5-chloro-4-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-2-[6-(1-cyanopiperidin-4-yl)-3-pyridinyl]acetamide
SMILESCN1CCC(Oc2cc(NC(=O)Cc3ccc(C4CCN(C#N)CC4)nc3)ncc2Cl)CC1
InChIInChI=1S/C24H29ClN6O2/c1-30-8-6-19(7-9-30)33-22-13-23(28-15-20(22)25)29-24(32)12-17-2-3-21(27-14-17)18-4-10-31(16-26)11-5-18/h2-3,13-15,18-19H,4-12H2,1H3,(H,28,29,32)
InChIKeyLPDVGTMQEGZSKQ-UHFFFAOYSA-N
XLogP3.44
TPSA94.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.99
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze N-[5-chloro-4-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-2-[6-(1-cyanopiperidin-4-yl)-3-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-2-[6-(1-cyanopiperidin-4-yl)-3-pyridinyl]acetamide?
The IUPAC name of N-[5-chloro-4-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-2-[6-(1-cyanopiperidin-4-yl)-3-pyridinyl]acetamide (CID 170715420) is N-[5-chloro-4-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-2-[6-(1-cyanopiperidin-4-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[5-chloro-4-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-2-[6-(1-cyanopiperidin-4-yl)-3-pyridinyl]acetamide?
The canonical SMILES for N-[5-chloro-4-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-2-[6-(1-cyanopiperidin-4-yl)-3-pyridinyl]acetamide is CN1CCC(Oc2cc(NC(=O)Cc3ccc(C4CCN(C#N)CC4)nc3)ncc2Cl)CC1.
What is the InChIKey of N-[5-chloro-4-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-2-[6-(1-cyanopiperidin-4-yl)-3-pyridinyl]acetamide?
The InChIKey is LPDVGTMQEGZSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN6O2/c1-30-8-6-19(7-9-30)33-22-13-23(28-15-20(22)25)29-24(32)12-17-2-3-21(27-14-17)18-4-10-31(16-26)11-5-18/h2-3,13-15,18-19H,4-12H2,1H3,(H,28,29,32).
What are the key properties of N-[5-chloro-4-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-2-[6-(1-cyanopiperidin-4-yl)-3-pyridinyl]acetamide?
N-[5-chloro-4-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-2-[6-(1-cyanopiperidin-4-yl)-3-pyridinyl]acetamide has a molecular weight of 468.99 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-2-[6-(1-cyanopiperidin-4-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 170715420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).