9-(6-methylpyridine-2-carbonyl)-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one

C23H28N4O2 — CID 72876167

IUPAC9-(6-methylpyridine-2-carbonyl)-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cccc(C(=O)N2CCC3(CCC(=O)N(CCc4cccnc4)C3)CC2)n1
InChIInChI=1S/C23H28N4O2/c1-18-4-2-6-20(25-18)22(29)26-14-10-23(11-15-26)9-7-21(28)27(17-23)13-8-19-5-3-12-24-16-19/h2-6,12,16H,7-11,13-15,17H2,1H3
InChIKeyFTRZTCRPRFNGKD-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.87
Rot. Bonds4

About 9-(6-methylpyridine-2-carbonyl)-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one

9-(6-methylpyridine-2-carbonyl)-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72876167) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 9-(6-methylpyridine-2-carbonyl)-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(6-methylpyridine-2-carbonyl)-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72876167
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name9-(6-methylpyridine-2-carbonyl)-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cccc(C(=O)N2CCC3(CCC(=O)N(CCc4cccnc4)C3)CC2)n1
InChIInChI=1S/C23H28N4O2/c1-18-4-2-6-20(25-18)22(29)26-14-10-23(11-15-26)9-7-21(28)27(17-23)13-8-19-5-3-12-24-16-19/h2-6,12,16H,7-11,13-15,17H2,1H3
InChIKeyFTRZTCRPRFNGKD-UHFFFAOYSA-N
XLogP2.87
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(6-methylpyridine-2-carbonyl)-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-(6-methylpyridine-2-carbonyl)-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(6-methylpyridine-2-carbonyl)-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72876167) is 9-(6-methylpyridine-2-carbonyl)-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(6-methylpyridine-2-carbonyl)-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(6-methylpyridine-2-carbonyl)-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one is Cc1cccc(C(=O)N2CCC3(CCC(=O)N(CCc4cccnc4)C3)CC2)n1.
What is the InChIKey of 9-(6-methylpyridine-2-carbonyl)-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is FTRZTCRPRFNGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-18-4-2-6-20(25-18)22(29)26-14-10-23(11-15-26)9-7-21(28)27(17-23)13-8-19-5-3-12-24-16-19/h2-6,12,16H,7-11,13-15,17H2,1H3.
What are the key properties of 9-(6-methylpyridine-2-carbonyl)-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-(6-methylpyridine-2-carbonyl)-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 392.50 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-methylpyridine-2-carbonyl)-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72876167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).