N-[3-(2,2-difluoropropylcarbamoylamino)-6-(4-ethyl-3-pyridinyl)cinnolin-8-yl]cyclobutanecarboxamide

C24H26F2N6O2 — CID 146488461

IUPACN-[3-(2,2-difluoropropylcarbamoylamino)-6-(4-ethyl-3-pyridinyl)cinnolin-8-yl]cyclobutanecarboxamide
SMILESCCc1ccncc1-c1cc(NC(=O)C2CCC2)c2nnc(NC(=O)NCC(C)(F)F)cc2c1
InChIInChI=1S/C24H26F2N6O2/c1-3-14-7-8-27-12-18(14)16-9-17-11-20(30-23(34)28-13-24(2,25)26)31-32-21(17)19(10-16)29-22(33)15-5-4-6-15/h7-12,15H,3-6,13H2,1-2H3,(H,29,33)(H2,28,30,31,34)
InChIKeyCKLBGPUCMQJJOM-UHFFFAOYSA-N
MW468.51 g/mol
LogP4.77
Rot. Bonds7

About N-[3-(2,2-difluoropropylcarbamoylamino)-6-(4-ethyl-3-pyridinyl)cinnolin-8-yl]cyclobutanecarboxamide

N-[3-(2,2-difluoropropylcarbamoylamino)-6-(4-ethyl-3-pyridinyl)cinnolin-8-yl]cyclobutanecarboxamide (PubChem CID 146488461) has the molecular formula C24H26F2N6O2 and a molecular weight of 468.51 g/mol. Its IUPAC name is N-[3-(2,2-difluoropropylcarbamoylamino)-6-(4-ethyl-3-pyridinyl)cinnolin-8-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-(2,2-difluoropropylcarbamoylamino)-6-(4-ethyl-3-pyridinyl)cinnolin-8-yl]cyclobutanecarboxamide
PubChem CID146488461
Molecular FormulaC24H26F2N6O2
Molecular Weight468.51 g/mol
Exact Mass468.21
IUPAC NameN-[3-(2,2-difluoropropylcarbamoylamino)-6-(4-ethyl-3-pyridinyl)cinnolin-8-yl]cyclobutanecarboxamide
SMILESCCc1ccncc1-c1cc(NC(=O)C2CCC2)c2nnc(NC(=O)NCC(C)(F)F)cc2c1
InChIInChI=1S/C24H26F2N6O2/c1-3-14-7-8-27-12-18(14)16-9-17-11-20(30-23(34)28-13-24(2,25)26)31-32-21(17)19(10-16)29-22(33)15-5-4-6-15/h7-12,15H,3-6,13H2,1-2H3,(H,29,33)(H2,28,30,31,34)
InChIKeyCKLBGPUCMQJJOM-UHFFFAOYSA-N
XLogP4.77
TPSA108.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-(2,2-difluoropropylcarbamoylamino)-6-(4-ethyl-3-pyridinyl)cinnolin-8-yl]cyclobutanecarboxamide 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

1-[8-chloro-6-(4-ethyl-3-pyridinyl)cinnolin-3-yl]-3-(2,2,2-trifluoroethyl)urea
CID 146469808
[6-(4-ethyl-3-pyridinyl)-3-(pyrrolidine-1-carbonylamino)cinnolin-8-yl]carbamic acid
CID 146469847
[6-(4-cyclopropyl-3-pyridinyl)-3-[(2-fluorocyclopropanecarbonyl)amino]cinnolin-8-yl]carbamic acid
CID 146469805
N-[8-amino-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 135344454
N-[7-[4-(hydroxymethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 57411093
tert-butyl N-[3-[[(1S,2R)-2-cyanocyclopropanecarbonyl]amino]-6-(4-ethyl-3-pyridinyl)isoquinolin-8-yl]carbamate
CID 140921329
6-(4-ethyl-3-pyridinyl)-3-N-(oxolan-3-yl)cinnoline-3,8-diamine
CID 146469926
cis-(1S,2S)-N-[8-amino-6-(3-methyl-4-pyridinyl)cinnolin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 146488505
N-[7-[4-(nitrosomethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 88587711
N-(2-ethylphenyl)cyclopentanecarboxamide
CID 897142
3-(4-ethyl-3-pyridinyl)-5-fluorobenzoic acid
CID 164527790
N-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]cyclobutanecarboxamide
CID 113042141

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-difluoropropylcarbamoylamino)-6-(4-ethyl-3-pyridinyl)cinnolin-8-yl]cyclobutanecarboxamide?
The IUPAC name of N-[3-(2,2-difluoropropylcarbamoylamino)-6-(4-ethyl-3-pyridinyl)cinnolin-8-yl]cyclobutanecarboxamide (CID 146488461) is N-[3-(2,2-difluoropropylcarbamoylamino)-6-(4-ethyl-3-pyridinyl)cinnolin-8-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-(2,2-difluoropropylcarbamoylamino)-6-(4-ethyl-3-pyridinyl)cinnolin-8-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-(2,2-difluoropropylcarbamoylamino)-6-(4-ethyl-3-pyridinyl)cinnolin-8-yl]cyclobutanecarboxamide is CCc1ccncc1-c1cc(NC(=O)C2CCC2)c2nnc(NC(=O)NCC(C)(F)F)cc2c1.
What is the InChIKey of N-[3-(2,2-difluoropropylcarbamoylamino)-6-(4-ethyl-3-pyridinyl)cinnolin-8-yl]cyclobutanecarboxamide?
The InChIKey is CKLBGPUCMQJJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N6O2/c1-3-14-7-8-27-12-18(14)16-9-17-11-20(30-23(34)28-13-24(2,25)26)31-32-21(17)19(10-16)29-22(33)15-5-4-6-15/h7-12,15H,3-6,13H2,1-2H3,(H,29,33)(H2,28,30,31,34).
What are the key properties of N-[3-(2,2-difluoropropylcarbamoylamino)-6-(4-ethyl-3-pyridinyl)cinnolin-8-yl]cyclobutanecarboxamide?
N-[3-(2,2-difluoropropylcarbamoylamino)-6-(4-ethyl-3-pyridinyl)cinnolin-8-yl]cyclobutanecarboxamide has a molecular weight of 468.51 g/mol, XLogP of 4.77, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-difluoropropylcarbamoylamino)-6-(4-ethyl-3-pyridinyl)cinnolin-8-yl]cyclobutanecarboxamide is sourced from PubChem (CID 146488461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).