N-[5-chloro-4-(6,6-dimethylpiperidin-3-yl)oxy-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]acetamide

C25H29ClN6O2 — CID 170715577

IUPACN-[5-chloro-4-(6,6-dimethylpiperidin-3-yl)oxy-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]acetamide
SMILESCC1(C)CCC(Oc2cc(NC(=O)Cc3ccc(C4=CCN(C#N)CC4)nc3)ncc2Cl)CN1
InChIInChI=1S/C25H29ClN6O2/c1-25(2)8-5-19(14-30-25)34-22-12-23(29-15-20(22)26)31-24(33)11-17-3-4-21(28-13-17)18-6-9-32(16-27)10-7-18/h3-4,6,12-13,15,19,30H,5,7-11,14H2,1-2H3,(H,29,31,33)
InChIKeyKECDUOVPUFHXEG-UHFFFAOYSA-N
MW481.00 g/mol
LogP3.79
Rot. Bonds6

About N-[5-chloro-4-(6,6-dimethylpiperidin-3-yl)oxy-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]acetamide

N-[5-chloro-4-(6,6-dimethylpiperidin-3-yl)oxy-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]acetamide (PubChem CID 170715577) has the molecular formula C25H29ClN6O2 and a molecular weight of 481.00 g/mol. Its IUPAC name is N-[5-chloro-4-(6,6-dimethylpiperidin-3-yl)oxy-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-chloro-4-(6,6-dimethylpiperidin-3-yl)oxy-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]acetamide
PubChem CID170715577
Molecular FormulaC25H29ClN6O2
Molecular Weight481.00 g/mol
Exact Mass480.20
IUPAC NameN-[5-chloro-4-(6,6-dimethylpiperidin-3-yl)oxy-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]acetamide
SMILESCC1(C)CCC(Oc2cc(NC(=O)Cc3ccc(C4=CCN(C#N)CC4)nc3)ncc2Cl)CN1
InChIInChI=1S/C25H29ClN6O2/c1-25(2)8-5-19(14-30-25)34-22-12-23(29-15-20(22)26)31-24(33)11-17-3-4-21(28-13-17)18-6-9-32(16-27)10-7-18/h3-4,6,12-13,15,19,30H,5,7-11,14H2,1-2H3,(H,29,31,33)
InChIKeyKECDUOVPUFHXEG-UHFFFAOYSA-N
XLogP3.79
TPSA103.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.00
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-(6,6-dimethylpiperidin-3-yl)oxy-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]acetamide?
The IUPAC name of N-[5-chloro-4-(6,6-dimethylpiperidin-3-yl)oxy-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]acetamide (CID 170715577) is N-[5-chloro-4-(6,6-dimethylpiperidin-3-yl)oxy-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[5-chloro-4-(6,6-dimethylpiperidin-3-yl)oxy-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]acetamide?
The canonical SMILES for N-[5-chloro-4-(6,6-dimethylpiperidin-3-yl)oxy-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]acetamide is CC1(C)CCC(Oc2cc(NC(=O)Cc3ccc(C4=CCN(C#N)CC4)nc3)ncc2Cl)CN1.
What is the InChIKey of N-[5-chloro-4-(6,6-dimethylpiperidin-3-yl)oxy-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]acetamide?
The InChIKey is KECDUOVPUFHXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN6O2/c1-25(2)8-5-19(14-30-25)34-22-12-23(29-15-20(22)26)31-24(33)11-17-3-4-21(28-13-17)18-6-9-32(16-27)10-7-18/h3-4,6,12-13,15,19,30H,5,7-11,14H2,1-2H3,(H,29,31,33).
What are the key properties of N-[5-chloro-4-(6,6-dimethylpiperidin-3-yl)oxy-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]acetamide?
N-[5-chloro-4-(6,6-dimethylpiperidin-3-yl)oxy-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]acetamide has a molecular weight of 481.00 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-(6,6-dimethylpiperidin-3-yl)oxy-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 170715577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).