(3R)-2-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

C18H27N5O2 — CID 95872736

IUPAC(3R)-2-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCN1CC2(CCNCC2)C[C@@H]1C(=O)NCCNC(=O)c1cccnc1
InChIInChI=1S/C18H27N5O2/c1-23-13-18(4-7-19-8-5-18)11-15(23)17(25)22-10-9-21-16(24)14-3-2-6-20-12-14/h2-3,6,12,15,19H,4-5,7-11,13H2,1H3,(H,21,24)(H,22,25)/t15-/m1/s1
InChIKeyNFGPQWCTXIEHOR-OAHLLOKOSA-N
MW345.45 g/mol
LogP0.00
Rot. Bonds5

About (3R)-2-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

(3R)-2-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 95872736) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is (3R)-2-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3R)-2-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID95872736
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name(3R)-2-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCN1CC2(CCNCC2)C[C@@H]1C(=O)NCCNC(=O)c1cccnc1
InChIInChI=1S/C18H27N5O2/c1-23-13-18(4-7-19-8-5-18)11-15(23)17(25)22-10-9-21-16(24)14-3-2-6-20-12-14/h2-3,6,12,15,19H,4-5,7-11,13H2,1H3,(H,21,24)(H,22,25)/t15-/m1/s1
InChIKeyNFGPQWCTXIEHOR-OAHLLOKOSA-N
XLogP0.00
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R)-2-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]-2,8-diazaspiro[4.5]decane-3-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

(3R)-2-methyl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95888750
N-[3-(2-ethylimidazol-1-yl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56902263
2-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
CID 154893409
N-[3-(2-methoxyphenyl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56892746
N-[2-(2-chlorophenoxy)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
CID 154894652
N-(3-oxo-3-piperazin-1-ylpropyl)pyridine-3-carboxamide
CID 28709234
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56882354
(3R)-N-[2-[(4-chlorophenyl)methoxy]ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95894798
(3R)-N-(2-methoxyethyl)-2-methyl-N-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95896718
(3S)-2-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95876902
(3R)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95873096
(3R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95862437

Frequently Asked Questions

What is the IUPAC name of (3R)-2-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3R)-2-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 95872736) is (3R)-2-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3R)-2-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3R)-2-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is CN1CC2(CCNCC2)C[C@@H]1C(=O)NCCNC(=O)c1cccnc1.
What is the InChIKey of (3R)-2-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is NFGPQWCTXIEHOR-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-23-13-18(4-7-19-8-5-18)11-15(23)17(25)22-10-9-21-16(24)14-3-2-6-20-12-14/h2-3,6,12,15,19H,4-5,7-11,13H2,1H3,(H,21,24)(H,22,25)/t15-/m1/s1.
What are the key properties of (3R)-2-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
(3R)-2-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 0.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 95872736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).