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

C18H25N3O2 — CID 97396726

IUPAC(2S,3S)-N-methyl-5-(2-methylpropanoyl)-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
SMILESCC(C)C(=O)N1CC[C@]2(C[C@@H]2C(=O)N(C)Cc2ccccn2)C1
InChIInChI=1S/C18H25N3O2/c1-13(2)16(22)21-9-7-18(12-21)10-15(18)17(23)20(3)11-14-6-4-5-8-19-14/h4-6,8,13,15H,7,9-12H2,1-3H3/t15-,18+/m1/s1
InChIKeySIPCOTWHZCHONC-QAPCUYQASA-N
MW315.42 g/mol
LogP1.93
Rot. Bonds4

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

(2S,3S)-N-methyl-5-(2-methylpropanoyl)-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide (PubChem CID 97396726) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (2S,3S)-N-methyl-5-(2-methylpropanoyl)-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-methyl-5-(2-methylpropanoyl)-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
PubChem CID97396726
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(2S,3S)-N-methyl-5-(2-methylpropanoyl)-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
SMILESCC(C)C(=O)N1CC[C@]2(C[C@@H]2C(=O)N(C)Cc2ccccn2)C1
InChIInChI=1S/C18H25N3O2/c1-13(2)16(22)21-9-7-18(12-21)10-15(18)17(23)20(3)11-14-6-4-5-8-19-14/h4-6,8,13,15H,7,9-12H2,1-3H3/t15-,18+/m1/s1
InChIKeySIPCOTWHZCHONC-QAPCUYQASA-N
XLogP1.93
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,5-N,5-N-trimethyl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 134072548
(2R,3S)-2-N-methyl-5-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97493125
5-benzoyl-N-methyl-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 134074281
(2R,3R)-5-(2-cyclopentylacetyl)-N-methyl-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97493139
(2S,3R)-5-N-cyclopentyl-2-N-methyl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97493132
(2R,3S)-N-methyl-5-(3-phenylpropanoyl)-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97493081
5-(4-fluorobenzoyl)-N-methyl-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 131656949
N-methyl-5-(3-methylthiophene-2-carbonyl)-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 131656954
N-methyl-5-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 131654217
(2R,3R)-2-N-methyl-5-N-(4-methylphenyl)-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97493104
N-methyl-5-(2-methylpropylsulfonyl)-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 131658281
5-N-(4-chlorophenyl)-2-N-methyl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 131644669

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-methyl-5-(2-methylpropanoyl)-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide?
The IUPAC name of (2S,3S)-N-methyl-5-(2-methylpropanoyl)-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide (CID 97396726) is (2S,3S)-N-methyl-5-(2-methylpropanoyl)-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide.
What is the SMILES notation for (2S,3S)-N-methyl-5-(2-methylpropanoyl)-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide?
The canonical SMILES for (2S,3S)-N-methyl-5-(2-methylpropanoyl)-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide is CC(C)C(=O)N1CC[C@]2(C[C@@H]2C(=O)N(C)Cc2ccccn2)C1.
What is the InChIKey of (2S,3S)-N-methyl-5-(2-methylpropanoyl)-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide?
The InChIKey is SIPCOTWHZCHONC-QAPCUYQASA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13(2)16(22)21-9-7-18(12-21)10-15(18)17(23)20(3)11-14-6-4-5-8-19-14/h4-6,8,13,15H,7,9-12H2,1-3H3/t15-,18+/m1/s1.
What are the key properties of (2S,3S)-N-methyl-5-(2-methylpropanoyl)-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide?
(2S,3S)-N-methyl-5-(2-methylpropanoyl)-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-methyl-5-(2-methylpropanoyl)-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 97396726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).