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

C22H25N3O2 — CID 131654217

IUPACN-methyl-5-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
SMILESCc1cccc(C(=O)N2CCC3(CC3C(=O)N(C)Cc3ccccn3)C2)c1
InChIInChI=1S/C22H25N3O2/c1-16-6-5-7-17(12-16)20(26)25-11-9-22(15-25)13-19(22)21(27)24(2)14-18-8-3-4-10-23-18/h3-8,10,12,19H,9,11,13-15H2,1-2H3
InChIKeyJVMUZZHPNSXFRT-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.90
Rot. Bonds4

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

N-methyl-5-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide (PubChem CID 131654217) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-methyl-5-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
PubChem CID131654217
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-methyl-5-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
SMILESCc1cccc(C(=O)N2CCC3(CC3C(=O)N(C)Cc3ccccn3)C2)c1
InChIInChI=1S/C22H25N3O2/c1-16-6-5-7-17(12-16)20(26)25-11-9-22(15-25)13-19(22)21(27)24(2)14-18-8-3-4-10-23-18/h3-8,10,12,19H,9,11,13-15H2,1-2H3
InChIKeyJVMUZZHPNSXFRT-UHFFFAOYSA-N
XLogP2.90
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-methyl-5-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-benzoyl-N-methyl-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 134074281
(2R,3S)-5-(3-chlorobenzoyl)-N-methyl-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97493015
5-(4-fluorobenzoyl)-N-methyl-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 131656949
2-N,5-N,5-N-trimethyl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 134072548
N-methyl-5-(3-methylthiophene-2-carbonyl)-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 131656954
(2S,3S)-N-methyl-5-(2-methylpropanoyl)-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97396726
5-(4-fluorobenzoyl)-N-methyl-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155843663
(2R,3R)-2-N-methyl-5-N-(4-methylphenyl)-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97493104
(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
(2R,3R)-5-(2-cyclopentylacetyl)-N-methyl-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97493139
(2R,3S)-N-methyl-5-(3-phenylpropanoyl)-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97493081
(2S,3R)-5-N-cyclopentyl-2-N-methyl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97493132

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide?
The IUPAC name of N-methyl-5-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide (CID 131654217) is N-methyl-5-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide.
What is the SMILES notation for N-methyl-5-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide?
The canonical SMILES for N-methyl-5-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide is Cc1cccc(C(=O)N2CCC3(CC3C(=O)N(C)Cc3ccccn3)C2)c1.
What is the InChIKey of N-methyl-5-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide?
The InChIKey is JVMUZZHPNSXFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16-6-5-7-17(12-16)20(26)25-11-9-22(15-25)13-19(22)21(27)24(2)14-18-8-3-4-10-23-18/h3-8,10,12,19H,9,11,13-15H2,1-2H3.
What are the key properties of N-methyl-5-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide?
N-methyl-5-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 131654217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).