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

C17H21N3O2 — CID 97492595

IUPAC(2R,3S)-5-(2-cyclopropylacetyl)-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2-carboxamide
SMILESO=C(Nc1cccnc1)[C@@H]1C[C@]12CCN(C(=O)CC1CC1)C2
InChIInChI=1S/C17H21N3O2/c21-15(8-12-3-4-12)20-7-5-17(11-20)9-14(17)16(22)19-13-2-1-6-18-10-13/h1-2,6,10,12,14H,3-5,7-9,11H2,(H,19,22)/t14-,17-/m0/s1
InChIKeyYNYNKYQCKAJSHW-YOEHRIQHSA-N
MW299.37 g/mol
LogP2.06
Rot. Bonds4

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

(2R,3S)-5-(2-cyclopropylacetyl)-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2-carboxamide (PubChem CID 97492595) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2R,3S)-5-(2-cyclopropylacetyl)-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S)-5-(2-cyclopropylacetyl)-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2-carboxamide
PubChem CID97492595
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(2R,3S)-5-(2-cyclopropylacetyl)-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2-carboxamide
SMILESO=C(Nc1cccnc1)[C@@H]1C[C@]12CCN(C(=O)CC1CC1)C2
InChIInChI=1S/C17H21N3O2/c21-15(8-12-3-4-12)20-7-5-17(11-20)9-14(17)16(22)19-13-2-1-6-18-10-13/h1-2,6,10,12,14H,3-5,7-9,11H2,(H,19,22)/t14-,17-/m0/s1
InChIKeyYNYNKYQCKAJSHW-YOEHRIQHSA-N
XLogP2.06
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-5-N,5-N-dimethyl-2-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97396660
(2S,3S)-5-N-benzyl-2-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97492569
(2S,3R)-5-N-benzyl-2-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97492570
5-N-(4-fluorophenyl)-2-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 131646111
(2S,3S)-5-N-(4-fluorophenyl)-2-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97492534
(2S,3R)-5-(4-chlorobenzoyl)-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492548
2-cyclopropyl-N-pyridin-3-ylacetamide
CID 131129634
2-(cyclopropanecarbonyl)-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;formic acid
CID 155873009
(2S,3S)-5-[2-(4-fluorophenyl)acetyl]-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492708
(2R,3S)-5-N-(3-ethylphenyl)-2-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97492729
(2R,3S)-5-N-(4-fluorophenyl)-2-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97492655
5-(2-cyclopentylacetyl)-N-(pyridin-4-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155842369

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-5-(2-cyclopropylacetyl)-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2-carboxamide?
The IUPAC name of (2R,3S)-5-(2-cyclopropylacetyl)-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2-carboxamide (CID 97492595) is (2R,3S)-5-(2-cyclopropylacetyl)-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2-carboxamide.
What is the SMILES notation for (2R,3S)-5-(2-cyclopropylacetyl)-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2-carboxamide?
The canonical SMILES for (2R,3S)-5-(2-cyclopropylacetyl)-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2-carboxamide is O=C(Nc1cccnc1)[C@@H]1C[C@]12CCN(C(=O)CC1CC1)C2.
What is the InChIKey of (2R,3S)-5-(2-cyclopropylacetyl)-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2-carboxamide?
The InChIKey is YNYNKYQCKAJSHW-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H21N3O2/c21-15(8-12-3-4-12)20-7-5-17(11-20)9-14(17)16(22)19-13-2-1-6-18-10-13/h1-2,6,10,12,14H,3-5,7-9,11H2,(H,19,22)/t14-,17-/m0/s1.
What are the key properties of (2R,3S)-5-(2-cyclopropylacetyl)-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2-carboxamide?
(2R,3S)-5-(2-cyclopropylacetyl)-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-5-(2-cyclopropylacetyl)-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 97492595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).