8-(2-chloropyridine-3-carbonyl)-N-cyclopentyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide

C19H23ClN4O3 — CID 10222019

IUPAC8-(2-chloropyridine-3-carbonyl)-N-cyclopentyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESO=C(NC1CCCC1)C1=NOC2(CCN(C(=O)c3cccnc3Cl)CC2)C1
InChIInChI=1S/C19H23ClN4O3/c20-16-14(6-3-9-21-16)18(26)24-10-7-19(8-11-24)12-15(23-27-19)17(25)22-13-4-1-2-5-13/h3,6,9,13H,1-2,4-5,7-8,10-12H2,(H,22,25)
InChIKeyQROJVJHKBLNTFG-UHFFFAOYSA-N
MW390.87 g/mol
LogP2.54
Rot. Bonds3

About 8-(2-chloropyridine-3-carbonyl)-N-cyclopentyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide

8-(2-chloropyridine-3-carbonyl)-N-cyclopentyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide (PubChem CID 10222019) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is 8-(2-chloropyridine-3-carbonyl)-N-cyclopentyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide.

Molecular Properties

Compound Name8-(2-chloropyridine-3-carbonyl)-N-cyclopentyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
PubChem CID10222019
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC Name8-(2-chloropyridine-3-carbonyl)-N-cyclopentyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESO=C(NC1CCCC1)C1=NOC2(CCN(C(=O)c3cccnc3Cl)CC2)C1
InChIInChI=1S/C19H23ClN4O3/c20-16-14(6-3-9-21-16)18(26)24-10-7-19(8-11-24)12-15(23-27-19)17(25)22-13-4-1-2-5-13/h3,6,9,13H,1-2,4-5,7-8,10-12H2,(H,22,25)
InChIKeyQROJVJHKBLNTFG-UHFFFAOYSA-N
XLogP2.54
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(2-chloropyridine-3-carbonyl)-N-cyclopentyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The IUPAC name of 8-(2-chloropyridine-3-carbonyl)-N-cyclopentyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide (CID 10222019) is 8-(2-chloropyridine-3-carbonyl)-N-cyclopentyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide.
What is the SMILES notation for 8-(2-chloropyridine-3-carbonyl)-N-cyclopentyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The canonical SMILES for 8-(2-chloropyridine-3-carbonyl)-N-cyclopentyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide is O=C(NC1CCCC1)C1=NOC2(CCN(C(=O)c3cccnc3Cl)CC2)C1.
What is the InChIKey of 8-(2-chloropyridine-3-carbonyl)-N-cyclopentyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The InChIKey is QROJVJHKBLNTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3/c20-16-14(6-3-9-21-16)18(26)24-10-7-19(8-11-24)12-15(23-27-19)17(25)22-13-4-1-2-5-13/h3,6,9,13H,1-2,4-5,7-8,10-12H2,(H,22,25).
What are the key properties of 8-(2-chloropyridine-3-carbonyl)-N-cyclopentyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?
8-(2-chloropyridine-3-carbonyl)-N-cyclopentyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide has a molecular weight of 390.87 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chloropyridine-3-carbonyl)-N-cyclopentyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide is sourced from PubChem (CID 10222019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).