N-[(3S)-8-[(4-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-2-carboxamide

C22H27N3O2 — CID 97487879

IUPACN-[(3S)-8-[(4-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-2-carboxamide
SMILESCc1ccc(CN2CCC3(CC2)C[C@H](NC(=O)c2ccccn2)CO3)cc1
InChIInChI=1S/C22H27N3O2/c1-17-5-7-18(8-6-17)15-25-12-9-22(10-13-25)14-19(16-27-22)24-21(26)20-4-2-3-11-23-20/h2-8,11,19H,9-10,12-16H2,1H3,(H,24,26)/t19-/m0/s1
InChIKeySFFIUQQIPBXCFG-IBGZPJMESA-N
MW365.48 g/mol
LogP2.94
Rot. Bonds4

About N-[(3S)-8-[(4-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-2-carboxamide

N-[(3S)-8-[(4-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-2-carboxamide (PubChem CID 97487879) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[(3S)-8-[(4-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-8-[(4-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-2-carboxamide
PubChem CID97487879
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[(3S)-8-[(4-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-2-carboxamide
SMILESCc1ccc(CN2CCC3(CC2)C[C@H](NC(=O)c2ccccn2)CO3)cc1
InChIInChI=1S/C22H27N3O2/c1-17-5-7-18(8-6-17)15-25-12-9-22(10-13-25)14-19(16-27-22)24-21(26)20-4-2-3-11-23-20/h2-8,11,19H,9-10,12-16H2,1H3,(H,24,26)/t19-/m0/s1
InChIKeySFFIUQQIPBXCFG-IBGZPJMESA-N
XLogP2.94
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3S)-8-[(4-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-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

N-[(3R)-8-[(3,5-dimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-2-carboxamide
CID 97487885
N-[(3S)-8-(2-methylfuran-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-2-carboxamide
CID 97487900
N-[(3R)-8-(2-methylfuran-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-2-carboxamide
CID 97487902
N-[(3R)-1-oxaspiro[4.4]nonan-3-yl]-4-(piperidin-1-ylmethyl)benzamide
CID 97209452
8-[(3,5-dimethylphenyl)methyl]-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118743774
2-methyl-N-[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide
CID 118745549
8-[[4-(dimethylamino)phenyl]methyl]-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 131657932
(3S)-8-[(1-methylimidazol-2-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97488035
5-[[3-[[(1S)-1-phenylpropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid
CID 166654987
N-[[8-[[4-(dimethylamino)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide
CID 45238728
N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide
CID 69401322
N-[8-[(3,4-dimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155843030

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-8-[(4-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[(3S)-8-[(4-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-2-carboxamide (CID 97487879) is N-[(3S)-8-[(4-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3S)-8-[(4-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[(3S)-8-[(4-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-2-carboxamide is Cc1ccc(CN2CCC3(CC2)C[C@H](NC(=O)c2ccccn2)CO3)cc1.
What is the InChIKey of N-[(3S)-8-[(4-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-2-carboxamide?
The InChIKey is SFFIUQQIPBXCFG-IBGZPJMESA-N. The full InChI is InChI=1S/C22H27N3O2/c1-17-5-7-18(8-6-17)15-25-12-9-22(10-13-25)14-19(16-27-22)24-21(26)20-4-2-3-11-23-20/h2-8,11,19H,9-10,12-16H2,1H3,(H,24,26)/t19-/m0/s1.
What are the key properties of N-[(3S)-8-[(4-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-2-carboxamide?
N-[(3S)-8-[(4-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-2-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-8-[(4-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 97487879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).