7-(pyridine-3-carbonyl)-3-pyridin-4-yl-1,4,7-triazaspiro[4.4]non-3-en-2-one

C17H15N5O2 — CID 134795441

IUPAC7-(pyridine-3-carbonyl)-3-pyridin-4-yl-1,4,7-triazaspiro[4.4]non-3-en-2-one
SMILESO=C1NC2(CCN(C(=O)c3cccnc3)C2)N=C1c1ccncc1
InChIInChI=1S/C17H15N5O2/c23-15-14(12-3-7-18-8-4-12)20-17(21-15)5-9-22(11-17)16(24)13-2-1-6-19-10-13/h1-4,6-8,10H,5,9,11H2,(H,21,23)
InChIKeyNKEIDOFDTAINRT-UHFFFAOYSA-N
MW321.34 g/mol
LogP0.64
Rot. Bonds2

About 7-(pyridine-3-carbonyl)-3-pyridin-4-yl-1,4,7-triazaspiro[4.4]non-3-en-2-one

7-(pyridine-3-carbonyl)-3-pyridin-4-yl-1,4,7-triazaspiro[4.4]non-3-en-2-one (PubChem CID 134795441) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 7-(pyridine-3-carbonyl)-3-pyridin-4-yl-1,4,7-triazaspiro[4.4]non-3-en-2-one.

Molecular Properties

Compound Name7-(pyridine-3-carbonyl)-3-pyridin-4-yl-1,4,7-triazaspiro[4.4]non-3-en-2-one
PubChem CID134795441
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name7-(pyridine-3-carbonyl)-3-pyridin-4-yl-1,4,7-triazaspiro[4.4]non-3-en-2-one
SMILESO=C1NC2(CCN(C(=O)c3cccnc3)C2)N=C1c1ccncc1
InChIInChI=1S/C17H15N5O2/c23-15-14(12-3-7-18-8-4-12)20-17(21-15)5-9-22(11-17)16(24)13-2-1-6-19-10-13/h1-4,6-8,10H,5,9,11H2,(H,21,23)
InChIKeyNKEIDOFDTAINRT-UHFFFAOYSA-N
XLogP0.64
TPSA87.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(pyridine-3-carbonyl)-3-pyridin-4-yl-1,4,7-triazaspiro[4.4]non-3-en-2-one with MolForge

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Related Compounds

8-(4-fluorobenzoyl)-3-(4-fluorophenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 20911545
3-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63142817
8-(4-chlorobenzoyl)-3-(4-chlorophenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 20911516
8-(3-chlorobenzoyl)-3-(4-chlorophenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 20911512
2-azaspiro[5.5]undecan-2-yl(pyridin-3-yl)methanone
CID 54582941
1'-(pyridine-3-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 97375619
(3-hydroxy-3-methylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 115875110
8-(pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 110668803
2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 28706038
3-(4-bromophenyl)-8-(4-methoxybenzoyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 22577424
6-oxa-9-azaspiro[4.5]decan-9-yl(pyridin-3-yl)methanone
CID 97232335
3-(4-methylphenyl)-8-(3,4,5-trimethoxybenzoyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 20911524

Frequently Asked Questions

What is the IUPAC name of 7-(pyridine-3-carbonyl)-3-pyridin-4-yl-1,4,7-triazaspiro[4.4]non-3-en-2-one?
The IUPAC name of 7-(pyridine-3-carbonyl)-3-pyridin-4-yl-1,4,7-triazaspiro[4.4]non-3-en-2-one (CID 134795441) is 7-(pyridine-3-carbonyl)-3-pyridin-4-yl-1,4,7-triazaspiro[4.4]non-3-en-2-one.
What is the SMILES notation for 7-(pyridine-3-carbonyl)-3-pyridin-4-yl-1,4,7-triazaspiro[4.4]non-3-en-2-one?
The canonical SMILES for 7-(pyridine-3-carbonyl)-3-pyridin-4-yl-1,4,7-triazaspiro[4.4]non-3-en-2-one is O=C1NC2(CCN(C(=O)c3cccnc3)C2)N=C1c1ccncc1.
What is the InChIKey of 7-(pyridine-3-carbonyl)-3-pyridin-4-yl-1,4,7-triazaspiro[4.4]non-3-en-2-one?
The InChIKey is NKEIDOFDTAINRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c23-15-14(12-3-7-18-8-4-12)20-17(21-15)5-9-22(11-17)16(24)13-2-1-6-19-10-13/h1-4,6-8,10H,5,9,11H2,(H,21,23).
What are the key properties of 7-(pyridine-3-carbonyl)-3-pyridin-4-yl-1,4,7-triazaspiro[4.4]non-3-en-2-one?
7-(pyridine-3-carbonyl)-3-pyridin-4-yl-1,4,7-triazaspiro[4.4]non-3-en-2-one has a molecular weight of 321.34 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(pyridine-3-carbonyl)-3-pyridin-4-yl-1,4,7-triazaspiro[4.4]non-3-en-2-one is sourced from PubChem (CID 134795441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).