6-amino-5-[(2,6-dichlorophenyl)methoxy]-N-[8-(2-ethylbutyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-3-carboxamide

C27H36Cl2N4O3 — CID 58886264

IUPAC6-amino-5-[(2,6-dichlorophenyl)methoxy]-N-[8-(2-ethylbutyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-3-carboxamide
SMILESCCC(CC)CN1CCC2(CC1)CC(NC(=O)c1cnc(N)c(OCc3c(Cl)cccc3Cl)c1)CO2
InChIInChI=1S/C27H36Cl2N4O3/c1-3-18(4-2)15-33-10-8-27(9-11-33)13-20(16-36-27)32-26(34)19-12-24(25(30)31-14-19)35-17-21-22(28)6-5-7-23(21)29/h5-7,12,14,18,20H,3-4,8-11,13,15-17H2,1-2H3,(H2,30,31)(H,32,34)
InChIKeyMOQMMWFPANFKPF-UHFFFAOYSA-N
MW535.52 g/mol
LogP5.34
Rot. Bonds9

About 6-amino-5-[(2,6-dichlorophenyl)methoxy]-N-[8-(2-ethylbutyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-3-carboxamide

6-amino-5-[(2,6-dichlorophenyl)methoxy]-N-[8-(2-ethylbutyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-3-carboxamide (PubChem CID 58886264) has the molecular formula C27H36Cl2N4O3 and a molecular weight of 535.52 g/mol. Its IUPAC name is 6-amino-5-[(2,6-dichlorophenyl)methoxy]-N-[8-(2-ethylbutyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-5-[(2,6-dichlorophenyl)methoxy]-N-[8-(2-ethylbutyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-3-carboxamide
PubChem CID58886264
Molecular FormulaC27H36Cl2N4O3
Molecular Weight535.52 g/mol
Exact Mass534.22
IUPAC Name6-amino-5-[(2,6-dichlorophenyl)methoxy]-N-[8-(2-ethylbutyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-3-carboxamide
SMILESCCC(CC)CN1CCC2(CC1)CC(NC(=O)c1cnc(N)c(OCc3c(Cl)cccc3Cl)c1)CO2
InChIInChI=1S/C27H36Cl2N4O3/c1-3-18(4-2)15-33-10-8-27(9-11-33)13-20(16-36-27)32-26(34)19-12-24(25(30)31-14-19)35-17-21-22(28)6-5-7-23(21)29/h5-7,12,14,18,20H,3-4,8-11,13,15-17H2,1-2H3,(H2,30,31)(H,32,34)
InChIKeyMOQMMWFPANFKPF-UHFFFAOYSA-N
XLogP5.34
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.52
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}

Analyze 6-amino-5-[(2,6-dichlorophenyl)methoxy]-N-[8-(2-ethylbutyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-3-carboxamide 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 6-amino-5-[(2,6-dichlorophenyl)methoxy]-N-[8-(2-ethylbutyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-3-carboxamide?
The IUPAC name of 6-amino-5-[(2,6-dichlorophenyl)methoxy]-N-[8-(2-ethylbutyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-3-carboxamide (CID 58886264) is 6-amino-5-[(2,6-dichlorophenyl)methoxy]-N-[8-(2-ethylbutyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-5-[(2,6-dichlorophenyl)methoxy]-N-[8-(2-ethylbutyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-amino-5-[(2,6-dichlorophenyl)methoxy]-N-[8-(2-ethylbutyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-3-carboxamide is CCC(CC)CN1CCC2(CC1)CC(NC(=O)c1cnc(N)c(OCc3c(Cl)cccc3Cl)c1)CO2.
What is the InChIKey of 6-amino-5-[(2,6-dichlorophenyl)methoxy]-N-[8-(2-ethylbutyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-3-carboxamide?
The InChIKey is MOQMMWFPANFKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36Cl2N4O3/c1-3-18(4-2)15-33-10-8-27(9-11-33)13-20(16-36-27)32-26(34)19-12-24(25(30)31-14-19)35-17-21-22(28)6-5-7-23(21)29/h5-7,12,14,18,20H,3-4,8-11,13,15-17H2,1-2H3,(H2,30,31)(H,32,34).
What are the key properties of 6-amino-5-[(2,6-dichlorophenyl)methoxy]-N-[8-(2-ethylbutyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-3-carboxamide?
6-amino-5-[(2,6-dichlorophenyl)methoxy]-N-[8-(2-ethylbutyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-3-carboxamide has a molecular weight of 535.52 g/mol, XLogP of 5.34, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(2,6-dichlorophenyl)methoxy]-N-[8-(2-ethylbutyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 58886264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).