N-[(5R,7S)-2-(3-chlorophenyl)-1-oxa-3-azaspiro[4.5]dec-2-en-7-yl]pyridine-2-carboxamide

C20H20ClN3O2 — CID 71560071

IUPACN-[(5R,7S)-2-(3-chlorophenyl)-1-oxa-3-azaspiro[4.5]dec-2-en-7-yl]pyridine-2-carboxamide
SMILESO=C(N[C@H]1CCC[C@]2(CN=C(c3cccc(Cl)c3)O2)C1)c1ccccn1
InChIInChI=1S/C20H20ClN3O2/c21-15-6-3-5-14(11-15)19-23-13-20(26-19)9-4-7-16(12-20)24-18(25)17-8-1-2-10-22-17/h1-3,5-6,8,10-11,16H,4,7,9,12-13H2,(H,24,25)/t16-,20+/m0/s1
InChIKeyWULJJNIUCIHCRO-OXJNMPFZSA-N
MW369.85 g/mol
LogP3.62
Rot. Bonds3

About N-[(5R,7S)-2-(3-chlorophenyl)-1-oxa-3-azaspiro[4.5]dec-2-en-7-yl]pyridine-2-carboxamide

N-[(5R,7S)-2-(3-chlorophenyl)-1-oxa-3-azaspiro[4.5]dec-2-en-7-yl]pyridine-2-carboxamide (PubChem CID 71560071) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is N-[(5R,7S)-2-(3-chlorophenyl)-1-oxa-3-azaspiro[4.5]dec-2-en-7-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(5R,7S)-2-(3-chlorophenyl)-1-oxa-3-azaspiro[4.5]dec-2-en-7-yl]pyridine-2-carboxamide
PubChem CID71560071
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC NameN-[(5R,7S)-2-(3-chlorophenyl)-1-oxa-3-azaspiro[4.5]dec-2-en-7-yl]pyridine-2-carboxamide
SMILESO=C(N[C@H]1CCC[C@]2(CN=C(c3cccc(Cl)c3)O2)C1)c1ccccn1
InChIInChI=1S/C20H20ClN3O2/c21-15-6-3-5-14(11-15)19-23-13-20(26-19)9-4-7-16(12-20)24-18(25)17-8-1-2-10-22-17/h1-3,5-6,8,10-11,16H,4,7,9,12-13H2,(H,24,25)/t16-,20+/m0/s1
InChIKeyWULJJNIUCIHCRO-OXJNMPFZSA-N
XLogP3.62
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chlorophenyl)-1-oxa-3-azaspiro[4.5]dec-2-en-7-yl]pyridine-2-carboxamide
CID 71560069
N-[(5R,7S)-2-(3-chlorophenyl)-1-oxa-3-azaspiro[4.5]dec-2-en-7-yl]-6-methylpyridine-2-carboxamide
CID 71560068
N-[4-(pyridine-2-carbonylamino)cyclohexyl]pyridine-2-carboxamide
CID 167956409
N-(3-cyclopropylcyclohexyl)pyridine-2-carboxamide
CID 171511790
N-[1-(3-chlorobenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110821025
N-[(5R,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide
CID 58237396
N-[1-(3-chlorophenyl)cyclopropyl]pyridine-2-carboxamide
CID 110444338
2-N-(3-chlorophenyl)-6-N-cyclopentylpyridine-2,6-dicarboxamide
CID 109095035
N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 24633709
N-[(5S,7S)-2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyrazine-2-carboxamide
CID 52911751
N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyridine-2-carboxamide
CID 6927601
N-[(1R,3R)-3-[2-(3-chlorophenyl)ethynyl]-3-hydroxycyclohexyl]-6-methylpyridine-2-carboxamide
CID 66869412

Frequently Asked Questions

What is the IUPAC name of N-[(5R,7S)-2-(3-chlorophenyl)-1-oxa-3-azaspiro[4.5]dec-2-en-7-yl]pyridine-2-carboxamide?
The IUPAC name of N-[(5R,7S)-2-(3-chlorophenyl)-1-oxa-3-azaspiro[4.5]dec-2-en-7-yl]pyridine-2-carboxamide (CID 71560071) is N-[(5R,7S)-2-(3-chlorophenyl)-1-oxa-3-azaspiro[4.5]dec-2-en-7-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(5R,7S)-2-(3-chlorophenyl)-1-oxa-3-azaspiro[4.5]dec-2-en-7-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[(5R,7S)-2-(3-chlorophenyl)-1-oxa-3-azaspiro[4.5]dec-2-en-7-yl]pyridine-2-carboxamide is O=C(N[C@H]1CCC[C@]2(CN=C(c3cccc(Cl)c3)O2)C1)c1ccccn1.
What is the InChIKey of N-[(5R,7S)-2-(3-chlorophenyl)-1-oxa-3-azaspiro[4.5]dec-2-en-7-yl]pyridine-2-carboxamide?
The InChIKey is WULJJNIUCIHCRO-OXJNMPFZSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c21-15-6-3-5-14(11-15)19-23-13-20(26-19)9-4-7-16(12-20)24-18(25)17-8-1-2-10-22-17/h1-3,5-6,8,10-11,16H,4,7,9,12-13H2,(H,24,25)/t16-,20+/m0/s1.
What are the key properties of N-[(5R,7S)-2-(3-chlorophenyl)-1-oxa-3-azaspiro[4.5]dec-2-en-7-yl]pyridine-2-carboxamide?
N-[(5R,7S)-2-(3-chlorophenyl)-1-oxa-3-azaspiro[4.5]dec-2-en-7-yl]pyridine-2-carboxamide has a molecular weight of 369.85 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R,7S)-2-(3-chlorophenyl)-1-oxa-3-azaspiro[4.5]dec-2-en-7-yl]pyridine-2-carboxamide is sourced from PubChem (CID 71560071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).