(3S)-3-[(2S)-oxolan-2-yl]-N-(2-pyridin-4-ylethyl)-2-azaspiro[3.3]heptane-2-carboxamide

C18H25N3O2 — CID 125143346

IUPAC(3S)-3-[(2S)-oxolan-2-yl]-N-(2-pyridin-4-ylethyl)-2-azaspiro[3.3]heptane-2-carboxamide
SMILESO=C(NCCc1ccncc1)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1
InChIInChI=1S/C18H25N3O2/c22-17(20-11-6-14-4-9-19-10-5-14)21-13-18(7-2-8-18)16(21)15-3-1-12-23-15/h4-5,9-10,15-16H,1-3,6-8,11-13H2,(H,20,22)/t15-,16+/m0/s1
InChIKeyNBXPWMBZMCRGBP-JKSUJKDBSA-N
MW315.42 g/mol
LogP2.37
Rot. Bonds4

About (3S)-3-[(2S)-oxolan-2-yl]-N-(2-pyridin-4-ylethyl)-2-azaspiro[3.3]heptane-2-carboxamide

(3S)-3-[(2S)-oxolan-2-yl]-N-(2-pyridin-4-ylethyl)-2-azaspiro[3.3]heptane-2-carboxamide (PubChem CID 125143346) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (3S)-3-[(2S)-oxolan-2-yl]-N-(2-pyridin-4-ylethyl)-2-azaspiro[3.3]heptane-2-carboxamide.

Molecular Properties

Compound Name(3S)-3-[(2S)-oxolan-2-yl]-N-(2-pyridin-4-ylethyl)-2-azaspiro[3.3]heptane-2-carboxamide
PubChem CID125143346
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(3S)-3-[(2S)-oxolan-2-yl]-N-(2-pyridin-4-ylethyl)-2-azaspiro[3.3]heptane-2-carboxamide
SMILESO=C(NCCc1ccncc1)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1
InChIInChI=1S/C18H25N3O2/c22-17(20-11-6-14-4-9-19-10-5-14)21-13-18(7-2-8-18)16(21)15-3-1-12-23-15/h4-5,9-10,15-16H,1-3,6-8,11-13H2,(H,20,22)/t15-,16+/m0/s1
InChIKeyNBXPWMBZMCRGBP-JKSUJKDBSA-N
XLogP2.37
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-hydroxy-N-(2-pyridin-4-ylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 119066269
(3aR,4R,7S,7aS)-N-(2-pyridin-4-ylethyl)-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboxamide
CID 155955584
N-(2-pyridin-4-ylethyl)piperidine-1-carboxamide
CID 113258758
4-[[3-(oxolan-2-yl)-2-azaspiro[3.3]heptan-2-yl]methyl]benzoic acid
CID 122034574
3-methyl-N-(2-pyridin-4-ylethyl)piperidine-1-carboxamide
CID 113258779
3-N-cyclooctyl-4-oxo-1-[[(2S)-oxolan-2-yl]methyl]-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 42467943
1-[[(2S)-oxolan-2-yl]methyl]-3-(2-pyridin-4-ylethyl)-1-(thiophen-3-ylmethyl)urea
CID 126450055
4-acetyl-2-methyl-N-(2-pyridin-4-ylethyl)morpholine-2-carboxamide
CID 110094656
1-N'-methyl-1-N-(oxolan-2-ylmethyl)-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973247
1-[(2-pyridin-4-ylethylamino)methyl]cyclobutane-1-carboxylic acid
CID 115246621
cis-(1S,2R)-2-(2-pyridin-4-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 713934
2-(3,5-difluorobenzoyl)-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912734

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2S)-oxolan-2-yl]-N-(2-pyridin-4-ylethyl)-2-azaspiro[3.3]heptane-2-carboxamide?
The IUPAC name of (3S)-3-[(2S)-oxolan-2-yl]-N-(2-pyridin-4-ylethyl)-2-azaspiro[3.3]heptane-2-carboxamide (CID 125143346) is (3S)-3-[(2S)-oxolan-2-yl]-N-(2-pyridin-4-ylethyl)-2-azaspiro[3.3]heptane-2-carboxamide.
What is the SMILES notation for (3S)-3-[(2S)-oxolan-2-yl]-N-(2-pyridin-4-ylethyl)-2-azaspiro[3.3]heptane-2-carboxamide?
The canonical SMILES for (3S)-3-[(2S)-oxolan-2-yl]-N-(2-pyridin-4-ylethyl)-2-azaspiro[3.3]heptane-2-carboxamide is O=C(NCCc1ccncc1)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1.
What is the InChIKey of (3S)-3-[(2S)-oxolan-2-yl]-N-(2-pyridin-4-ylethyl)-2-azaspiro[3.3]heptane-2-carboxamide?
The InChIKey is NBXPWMBZMCRGBP-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-17(20-11-6-14-4-9-19-10-5-14)21-13-18(7-2-8-18)16(21)15-3-1-12-23-15/h4-5,9-10,15-16H,1-3,6-8,11-13H2,(H,20,22)/t15-,16+/m0/s1.
What are the key properties of (3S)-3-[(2S)-oxolan-2-yl]-N-(2-pyridin-4-ylethyl)-2-azaspiro[3.3]heptane-2-carboxamide?
(3S)-3-[(2S)-oxolan-2-yl]-N-(2-pyridin-4-ylethyl)-2-azaspiro[3.3]heptane-2-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2S)-oxolan-2-yl]-N-(2-pyridin-4-ylethyl)-2-azaspiro[3.3]heptane-2-carboxamide is sourced from PubChem (CID 125143346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).