N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-2-oxo-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazinyl]acetamide

C23H22N8O3 — CID 167939301

IUPACN-[1-[[1-(cyanomethyl)cyclopropyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-2-oxo-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazinyl]acetamide
SMILESN#CCC1(CN2C(=O)CCc3cc(NC(=O)C(=O)NNc4nc5ccccn5n4)ccc32)CC1
InChIInChI=1S/C23H22N8O3/c24-11-10-23(8-9-23)14-30-17-6-5-16(13-15(17)4-7-19(30)32)25-20(33)21(34)27-28-22-26-18-3-1-2-12-31(18)29-22/h1-3,5-6,12-13H,4,7-10,14H2,(H,25,33)(H,27,34)(H,28,29)
InChIKeyHGDNWFSVLBDDNQ-UHFFFAOYSA-N
MW458.48 g/mol
LogP1.78
Rot. Bonds6

About N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-2-oxo-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazinyl]acetamide

N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-2-oxo-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazinyl]acetamide (PubChem CID 167939301) has the molecular formula C23H22N8O3 and a molecular weight of 458.48 g/mol. Its IUPAC name is N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-2-oxo-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazinyl]acetamide.

Molecular Properties

Compound NameN-[1-[[1-(cyanomethyl)cyclopropyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-2-oxo-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazinyl]acetamide
PubChem CID167939301
Molecular FormulaC23H22N8O3
Molecular Weight458.48 g/mol
Exact Mass458.18
IUPAC NameN-[1-[[1-(cyanomethyl)cyclopropyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-2-oxo-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazinyl]acetamide
SMILESN#CCC1(CN2C(=O)CCc3cc(NC(=O)C(=O)NNc4nc5ccccn5n4)ccc32)CC1
InChIInChI=1S/C23H22N8O3/c24-11-10-23(8-9-23)14-30-17-6-5-16(13-15(17)4-7-19(30)32)25-20(33)21(34)27-28-22-26-18-3-1-2-12-31(18)29-22/h1-3,5-6,12-13H,4,7-10,14H2,(H,25,33)(H,27,34)(H,28,29)
InChIKeyHGDNWFSVLBDDNQ-UHFFFAOYSA-N
XLogP1.78
TPSA144.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.48
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-2-oxo-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazinyl]acetamide 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

N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1H-pyrazole-4-carboxamide
CID 122144073
1-[[1-(cyanomethyl)cyclopropyl]methyl]-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 102711268
(2R)-N-[1-(3-cyanopropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-methyl-3-phenylpropanamide
CID 166200916
2-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]ethene-1,1,2-tricarbonitrile
CID 168608537
1-ethyl-N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazole-3-carboxamide
CID 71842967
6-(methylamino)-1-(3-oxobutyl)-3,4-dihydroquinolin-2-one
CID 115235513
4-[6-(methylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-3-oxobutanenitrile
CID 117038333
(2S)-2-methoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide
CID 97109094
3,4-dichloro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzamide
CID 16926773
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(3-hydroxyphenyl)acetamide
CID 86791329
1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3,4-dichlorophenyl)urea
CID 30376488
3,3-dimethyl-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)butanamide
CID 16926796

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-2-oxo-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazinyl]acetamide?
The IUPAC name of N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-2-oxo-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazinyl]acetamide (CID 167939301) is N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-2-oxo-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazinyl]acetamide.
What is the SMILES notation for N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-2-oxo-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazinyl]acetamide?
The canonical SMILES for N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-2-oxo-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazinyl]acetamide is N#CCC1(CN2C(=O)CCc3cc(NC(=O)C(=O)NNc4nc5ccccn5n4)ccc32)CC1.
What is the InChIKey of N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-2-oxo-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazinyl]acetamide?
The InChIKey is HGDNWFSVLBDDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O3/c24-11-10-23(8-9-23)14-30-17-6-5-16(13-15(17)4-7-19(30)32)25-20(33)21(34)27-28-22-26-18-3-1-2-12-31(18)29-22/h1-3,5-6,12-13H,4,7-10,14H2,(H,25,33)(H,27,34)(H,28,29).
What are the key properties of N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-2-oxo-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazinyl]acetamide?
N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-2-oxo-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazinyl]acetamide has a molecular weight of 458.48 g/mol, XLogP of 1.78, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-(cyanomethyl)cyclopropyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-2-oxo-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazinyl]acetamide is sourced from PubChem (CID 167939301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).