N-(6-chloro-3-pyridinyl)-2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide

C18H23ClN4O2 — CID 70736483

IUPACN-(6-chloro-3-pyridinyl)-2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
SMILESO=C(Nc1ccc(Cl)nc1)N1CCCC2(CCC(=O)N(C3CC3)C2)C1
InChIInChI=1S/C18H23ClN4O2/c19-15-5-2-13(10-20-15)21-17(25)22-9-1-7-18(11-22)8-6-16(24)23(12-18)14-3-4-14/h2,5,10,14H,1,3-4,6-9,11-12H2,(H,21,25)
InChIKeyGVIYBXFBBXIBRA-UHFFFAOYSA-N
MW362.86 g/mol
LogP3.13
Rot. Bonds2

About N-(6-chloro-3-pyridinyl)-2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide

N-(6-chloro-3-pyridinyl)-2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide (PubChem CID 70736483) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
PubChem CID70736483
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC NameN-(6-chloro-3-pyridinyl)-2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
SMILESO=C(Nc1ccc(Cl)nc1)N1CCCC2(CCC(=O)N(C3CC3)C2)C1
InChIInChI=1S/C18H23ClN4O2/c19-15-5-2-13(10-20-15)21-17(25)22-9-1-7-18(11-22)8-6-16(24)23(12-18)14-3-4-14/h2,5,10,14H,1,3-4,6-9,11-12H2,(H,21,25)
InChIKeyGVIYBXFBBXIBRA-UHFFFAOYSA-N
XLogP3.13
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6R)-2-cyclopropyl-N-(2,4-difluorophenyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
CID 97122233
N-(6-chloro-3-pyridinyl)-5-methyl-2-azaspiro[5.5]undecane-2-carboxamide
CID 146076546
(9aS)-N-(6-chloro-3-pyridinyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide
CID 118789483
N-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide
CID 146075621
(6S)-2-cyclopropyl-8-(1,1-dioxothiane-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97142136
2-cyclopropyl-8-(1,1-dioxothiane-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72909555
(6S)-2-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
CID 97149830
N-(6-chloro-3-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 47433118
2-cyclopropyl-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70754239
N-(6-chloro-3-pyridinyl)-3-cyclopropylpyrrolidine-1-carboxamide
CID 146084912
N-(6-chloro-3-pyridinyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 10214947
2-cyclopropyl-8-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72866096

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide (CID 70736483) is N-(6-chloro-3-pyridinyl)-2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide is O=C(Nc1ccc(Cl)nc1)N1CCCC2(CCC(=O)N(C3CC3)C2)C1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide?
The InChIKey is GVIYBXFBBXIBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c19-15-5-2-13(10-20-15)21-17(25)22-9-1-7-18(11-22)8-6-16(24)23(12-18)14-3-4-14/h2,5,10,14H,1,3-4,6-9,11-12H2,(H,21,25).
What are the key properties of N-(6-chloro-3-pyridinyl)-2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide?
N-(6-chloro-3-pyridinyl)-2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide has a molecular weight of 362.86 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide is sourced from PubChem (CID 70736483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).