1'-[2-(methylamino)pyridine-4-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

C19H21N5O2 — CID 70744015

IUPAC1'-[2-(methylamino)pyridine-4-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESCNc1cc(C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)ccn1
InChIInChI=1S/C19H21N5O2/c1-20-16-12-13(6-9-21-16)17(25)24-10-7-19(8-11-24)18(26)22-14-4-2-3-5-15(14)23-19/h2-6,9,12,23H,7-8,10-11H2,1H3,(H,20,21)(H,22,26)
InChIKeyQZDCCXLHQFJIOK-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.16
Rot. Bonds2

About 1'-[2-(methylamino)pyridine-4-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

1'-[2-(methylamino)pyridine-4-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (PubChem CID 70744015) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1'-[2-(methylamino)pyridine-4-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[2-(methylamino)pyridine-4-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
PubChem CID70744015
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name1'-[2-(methylamino)pyridine-4-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESCNc1cc(C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)ccn1
InChIInChI=1S/C19H21N5O2/c1-20-16-12-13(6-9-21-16)17(25)24-10-7-19(8-11-24)18(26)22-14-4-2-3-5-15(14)23-19/h2-6,9,12,23H,7-8,10-11H2,1H3,(H,20,21)(H,22,26)
InChIKeyQZDCCXLHQFJIOK-UHFFFAOYSA-N
XLogP2.16
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1'-[2-(methylamino)pyrimidine-5-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70710366
1'-([1,2,4]triazolo[1,5-a]pyridine-7-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 146038253
3-azaspiro[5.5]undecan-3-yl-[2-(methylamino)-4-pyridinyl]methanone
CID 62930860
1'-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70778672
1'-(3,4-dihydro-2H-chromene-6-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70761308
1'-[(2S)-2-hydroxy-3-methylbutanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 96578484
1'-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 97149961
1'-[3-(tetrazol-1-yl)-1H-pyrazole-5-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 146045100
(4-methoxyphenyl)-[4-[2-(methylamino)pyridine-4-carbonyl]piperazin-1-yl]methanone
CID 70751840
1'-[(3R)-1-methylpiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 97126721
N-[(2S)-1-oxo-1-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)pentan-2-yl]acetamide
CID 97132124
[2-(methylamino)-4-pyridinyl]-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone
CID 56908104

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(methylamino)pyridine-4-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[2-(methylamino)pyridine-4-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (CID 70744015) is 1'-[2-(methylamino)pyridine-4-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[2-(methylamino)pyridine-4-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[2-(methylamino)pyridine-4-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is CNc1cc(C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)ccn1.
What is the InChIKey of 1'-[2-(methylamino)pyridine-4-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The InChIKey is QZDCCXLHQFJIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-20-16-12-13(6-9-21-16)17(25)24-10-7-19(8-11-24)18(26)22-14-4-2-3-5-15(14)23-19/h2-6,9,12,23H,7-8,10-11H2,1H3,(H,20,21)(H,22,26).
What are the key properties of 1'-[2-(methylamino)pyridine-4-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
1'-[2-(methylamino)pyridine-4-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one has a molecular weight of 351.41 g/mol, XLogP of 2.16, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(methylamino)pyridine-4-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is sourced from PubChem (CID 70744015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).