(2-methyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-8-yl)-pyridin-4-ylmethanone

C20H20N4O — CID 24733333

IUPAC(2-methyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-8-yl)-pyridin-4-ylmethanone
SMILESCC1=NC2(CCN(C(=O)c3ccncc3)CC2)N=C1c1ccccc1
InChIInChI=1S/C20H20N4O/c1-15-18(16-5-3-2-4-6-16)23-20(22-15)9-13-24(14-10-20)19(25)17-7-11-21-12-8-17/h2-8,11-12H,9-10,13-14H2,1H3
InChIKeyFEURSBYUZDTGJI-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.98
Rot. Bonds2

About (2-methyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-8-yl)-pyridin-4-ylmethanone

(2-methyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-8-yl)-pyridin-4-ylmethanone (PubChem CID 24733333) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is (2-methyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-8-yl)-pyridin-4-ylmethanone.

Molecular Properties

Compound Name(2-methyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-8-yl)-pyridin-4-ylmethanone
PubChem CID24733333
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name(2-methyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-8-yl)-pyridin-4-ylmethanone
SMILESCC1=NC2(CCN(C(=O)c3ccncc3)CC2)N=C1c1ccccc1
InChIInChI=1S/C20H20N4O/c1-15-18(16-5-3-2-4-6-16)23-20(22-15)9-13-24(14-10-20)19(25)17-7-11-21-12-8-17/h2-8,11-12H,9-10,13-14H2,1H3
InChIKeyFEURSBYUZDTGJI-UHFFFAOYSA-N
XLogP2.98
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-methyl-3-[4-(trifluoromethyl)phenyl]-1,4,8-triazaspiro[4.5]deca-1,3-dien-8-yl]-pyridin-4-ylmethanone
CID 24733320
[3-(4-chlorophenyl)-2-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-8-yl]-(4-methylsulfonylphenyl)methanone
CID 24733310
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
(4,4-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110738617
4-(2-methylphenoxy)-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 56901351
1-benzoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240952
8-(4-fluorobenzoyl)-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 20911460
[4-(3-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 84513805
(4-phenoxyphenyl)-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 71944089
[4-(4-benzoylpiperazin-1-yl)phenyl]-pyridin-4-ylmethanone
CID 146590919
(4-methylphenyl)-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798290
1-[4-(4-acetylphenyl)benzoyl]-4-phenylpiperidine-4-carboxylic acid
CID 68513246

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-8-yl)-pyridin-4-ylmethanone?
The IUPAC name of (2-methyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-8-yl)-pyridin-4-ylmethanone (CID 24733333) is (2-methyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-8-yl)-pyridin-4-ylmethanone.
What is the SMILES notation for (2-methyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-8-yl)-pyridin-4-ylmethanone?
The canonical SMILES for (2-methyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-8-yl)-pyridin-4-ylmethanone is CC1=NC2(CCN(C(=O)c3ccncc3)CC2)N=C1c1ccccc1.
What is the InChIKey of (2-methyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-8-yl)-pyridin-4-ylmethanone?
The InChIKey is FEURSBYUZDTGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-15-18(16-5-3-2-4-6-16)23-20(22-15)9-13-24(14-10-20)19(25)17-7-11-21-12-8-17/h2-8,11-12H,9-10,13-14H2,1H3.
What are the key properties of (2-methyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-8-yl)-pyridin-4-ylmethanone?
(2-methyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-8-yl)-pyridin-4-ylmethanone has a molecular weight of 332.41 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-8-yl)-pyridin-4-ylmethanone is sourced from PubChem (CID 24733333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).