(2S,3R)-5-N-benzyl-2-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2,5-dicarboxamide

C20H22N4O2 — CID 97492570

IUPAC(2S,3R)-5-N-benzyl-2-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2,5-dicarboxamide
SMILESO=C(Nc1cccnc1)[C@H]1C[C@@]12CCN(C(=O)NCc1ccccc1)C2
InChIInChI=1S/C20H22N4O2/c25-18(23-16-7-4-9-21-13-16)17-11-20(17)8-10-24(14-20)19(26)22-12-15-5-2-1-3-6-15/h1-7,9,13,17H,8,10-12,14H2,(H,22,26)(H,23,25)/t17-,20-/m1/s1
InChIKeyDUSRAFHKGPFTIA-YLJYHZDGSA-N
MW350.42 g/mol
LogP2.64
Rot. Bonds4

About (2S,3R)-5-N-benzyl-2-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2,5-dicarboxamide

(2S,3R)-5-N-benzyl-2-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2,5-dicarboxamide (PubChem CID 97492570) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is (2S,3R)-5-N-benzyl-2-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2,5-dicarboxamide.

Molecular Properties

Compound Name(2S,3R)-5-N-benzyl-2-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2,5-dicarboxamide
PubChem CID97492570
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name(2S,3R)-5-N-benzyl-2-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2,5-dicarboxamide
SMILESO=C(Nc1cccnc1)[C@H]1C[C@@]12CCN(C(=O)NCc1ccccc1)C2
InChIInChI=1S/C20H22N4O2/c25-18(23-16-7-4-9-21-13-16)17-11-20(17)8-10-24(14-20)19(26)22-12-15-5-2-1-3-6-15/h1-7,9,13,17H,8,10-12,14H2,(H,22,26)(H,23,25)/t17-,20-/m1/s1
InChIKeyDUSRAFHKGPFTIA-YLJYHZDGSA-N
XLogP2.64
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-5-N-benzyl-2-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97492569
(2S,3S)-5-N-(4-fluorophenyl)-2-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97492534
5-N-(4-fluorophenyl)-2-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 131646111
(2R,3S)-N-(pyridin-3-ylmethyl)-2-(pyrrolidine-1-carbonyl)-5-azaspiro[2.4]heptane-5-carboxamide
CID 97396668
(2R,3S)-5-(2-cyclopropylacetyl)-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492595
(2R,3S)-5-N,5-N-dimethyl-2-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97396660
(2R,3S)-5-N-(4-fluorophenyl)-2-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97492655
(2R,3R)-5-N-(4-fluorophenyl)-2-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97492653
5-N-(4-fluorophenyl)-2-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 131646109
(2S,3R)-5-N-(4-methylphenyl)-2-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97492720
(2R,3S)-5-N-(3-ethylphenyl)-2-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97492729
2-N-(3-fluorophenyl)-5-N-[(3-fluorophenyl)methyl]-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 131646523

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-5-N-benzyl-2-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2,5-dicarboxamide?
The IUPAC name of (2S,3R)-5-N-benzyl-2-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2,5-dicarboxamide (CID 97492570) is (2S,3R)-5-N-benzyl-2-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2,5-dicarboxamide.
What is the SMILES notation for (2S,3R)-5-N-benzyl-2-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2,5-dicarboxamide?
The canonical SMILES for (2S,3R)-5-N-benzyl-2-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2,5-dicarboxamide is O=C(Nc1cccnc1)[C@H]1C[C@@]12CCN(C(=O)NCc1ccccc1)C2.
What is the InChIKey of (2S,3R)-5-N-benzyl-2-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2,5-dicarboxamide?
The InChIKey is DUSRAFHKGPFTIA-YLJYHZDGSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-18(23-16-7-4-9-21-13-16)17-11-20(17)8-10-24(14-20)19(26)22-12-15-5-2-1-3-6-15/h1-7,9,13,17H,8,10-12,14H2,(H,22,26)(H,23,25)/t17-,20-/m1/s1.
What are the key properties of (2S,3R)-5-N-benzyl-2-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2,5-dicarboxamide?
(2S,3R)-5-N-benzyl-2-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2,5-dicarboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-5-N-benzyl-2-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2,5-dicarboxamide is sourced from PubChem (CID 97492570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).