(2S,3S)-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide

C13H17N3O — CID 97492624

IUPAC(2S,3S)-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
SMILESO=C(NCc1cccnc1)[C@H]1C[C@]12CCNC2
InChIInChI=1S/C13H17N3O/c17-12(11-6-13(11)3-5-15-9-13)16-8-10-2-1-4-14-7-10/h1-2,4,7,11,15H,3,5-6,8-9H2,(H,16,17)/t11-,13+/m1/s1
InChIKeyKYHHNNAIQFIAPS-YPMHNXCESA-N
MW231.30 g/mol
LogP0.70
Rot. Bonds3

About (2S,3S)-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide

(2S,3S)-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide (PubChem CID 97492624) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is (2S,3S)-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
PubChem CID97492624
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name(2S,3S)-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
SMILESO=C(NCc1cccnc1)[C@H]1C[C@]12CCNC2
InChIInChI=1S/C13H17N3O/c17-12(11-6-13(11)3-5-15-9-13)16-8-10-2-1-4-14-7-10/h1-2,4,7,11,15H,3,5-6,8-9H2,(H,16,17)/t11-,13+/m1/s1
InChIKeyKYHHNNAIQFIAPS-YPMHNXCESA-N
XLogP0.70
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 121229553
6-benzyl-N-(pyridin-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126462699
(2S,3S)-5-[2-(4-fluorophenyl)acetyl]-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492708
N-(pyridin-3-ylmethyl)-5-(pyrrolidine-1-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 131645501
(2R,3R)-N-(pyridin-3-ylmethyl)-5-(pyrrolidine-1-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492749
(1R)-2,2-diphenyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 683234
(2R,3R)-5-N-(4-fluorophenyl)-2-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97492653
(2R,3S)-5-N-(4-fluorophenyl)-2-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97492655
5-N-(4-fluorophenyl)-2-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 131646109
(2S,3R)-5-(4-chlorobenzoyl)-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492682
N-(1,3-diphenylpropan-2-yl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 167785037
(2S,3S)-5-(2-methylbenzoyl)-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492673

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide?
The IUPAC name of (2S,3S)-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide (CID 97492624) is (2S,3S)-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide.
What is the SMILES notation for (2S,3S)-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide?
The canonical SMILES for (2S,3S)-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide is O=C(NCc1cccnc1)[C@H]1C[C@]12CCNC2.
What is the InChIKey of (2S,3S)-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide?
The InChIKey is KYHHNNAIQFIAPS-YPMHNXCESA-N. The full InChI is InChI=1S/C13H17N3O/c17-12(11-6-13(11)3-5-15-9-13)16-8-10-2-1-4-14-7-10/h1-2,4,7,11,15H,3,5-6,8-9H2,(H,16,17)/t11-,13+/m1/s1.
What are the key properties of (2S,3S)-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide?
(2S,3S)-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 97492624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).