ethyl 2-[1-[[2-[4-(pyridine-2-carbonylamino)pyrazol-1-yl]acetyl]amino]cyclohexyl]acetate

C21H27N5O4 — CID 26324333

IUPACethyl 2-[1-[[2-[4-(pyridine-2-carbonylamino)pyrazol-1-yl]acetyl]amino]cyclohexyl]acetate
SMILESCCOC(=O)CC1(NC(=O)Cn2cc(NC(=O)c3ccccn3)cn2)CCCCC1
InChIInChI=1S/C21H27N5O4/c1-2-30-19(28)12-21(9-5-3-6-10-21)25-18(27)15-26-14-16(13-23-26)24-20(29)17-8-4-7-11-22-17/h4,7-8,11,13-14H,2-3,5-6,9-10,12,15H2,1H3,(H,24,29)(H,25,27)
InChIKeyJTTUCBPMGQFKEF-UHFFFAOYSA-N
MW413.48 g/mol
LogP2.30
Rot. Bonds8

About ethyl 2-[1-[[2-[4-(pyridine-2-carbonylamino)pyrazol-1-yl]acetyl]amino]cyclohexyl]acetate

ethyl 2-[1-[[2-[4-(pyridine-2-carbonylamino)pyrazol-1-yl]acetyl]amino]cyclohexyl]acetate (PubChem CID 26324333) has the molecular formula C21H27N5O4 and a molecular weight of 413.48 g/mol. Its IUPAC name is ethyl 2-[1-[[2-[4-(pyridine-2-carbonylamino)pyrazol-1-yl]acetyl]amino]cyclohexyl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-[[2-[4-(pyridine-2-carbonylamino)pyrazol-1-yl]acetyl]amino]cyclohexyl]acetate
PubChem CID26324333
Molecular FormulaC21H27N5O4
Molecular Weight413.48 g/mol
Exact Mass413.21
IUPAC Nameethyl 2-[1-[[2-[4-(pyridine-2-carbonylamino)pyrazol-1-yl]acetyl]amino]cyclohexyl]acetate
SMILESCCOC(=O)CC1(NC(=O)Cn2cc(NC(=O)c3ccccn3)cn2)CCCCC1
InChIInChI=1S/C21H27N5O4/c1-2-30-19(28)12-21(9-5-3-6-10-21)25-18(27)15-26-14-16(13-23-26)24-20(29)17-8-4-7-11-22-17/h4,7-8,11,13-14H,2-3,5-6,9-10,12,15H2,1H3,(H,24,29)(H,25,27)
InChIKeyJTTUCBPMGQFKEF-UHFFFAOYSA-N
XLogP2.30
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[1-[[2-[4-(pyridine-2-carbonylamino)pyrazol-1-yl]acetyl]amino]cyclohexyl]acetate 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-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 47028121
N-[1-[2-[[1-(2-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide
CID 92634675
N-[1-[2-[2-(3-methylphenyl)ethylamino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide
CID 92634671
N-[1-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide
CID 110248574
N-[1-[2-[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]amino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide
CID 92634727
methyl 2-[4-[(3-hydroxypyridine-2-carbonyl)amino]pyrazol-1-yl]acetate
CID 61017369
ethyl 2-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonylamino)cyclohexyl]acetate
CID 154818610
ethyl 1-[2-(4-benzamidopyrazol-1-yl)acetyl]piperidine-2-carboxylate
CID 45201699
ethyl 2-[1-[[(2S)-2-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino]cyclohexyl]acetate
CID 94081052
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]pyridine-2-carboxamide
CID 35761688
methyl 2-[4-[(2-methoxypyridine-3-carbonyl)amino]pyrazol-1-yl]acetate
CID 61017726
2-(4-aminopyrazol-1-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 55081558

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[[2-[4-(pyridine-2-carbonylamino)pyrazol-1-yl]acetyl]amino]cyclohexyl]acetate?
The IUPAC name of ethyl 2-[1-[[2-[4-(pyridine-2-carbonylamino)pyrazol-1-yl]acetyl]amino]cyclohexyl]acetate (CID 26324333) is ethyl 2-[1-[[2-[4-(pyridine-2-carbonylamino)pyrazol-1-yl]acetyl]amino]cyclohexyl]acetate.
What is the SMILES notation for ethyl 2-[1-[[2-[4-(pyridine-2-carbonylamino)pyrazol-1-yl]acetyl]amino]cyclohexyl]acetate?
The canonical SMILES for ethyl 2-[1-[[2-[4-(pyridine-2-carbonylamino)pyrazol-1-yl]acetyl]amino]cyclohexyl]acetate is CCOC(=O)CC1(NC(=O)Cn2cc(NC(=O)c3ccccn3)cn2)CCCCC1.
What is the InChIKey of ethyl 2-[1-[[2-[4-(pyridine-2-carbonylamino)pyrazol-1-yl]acetyl]amino]cyclohexyl]acetate?
The InChIKey is JTTUCBPMGQFKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O4/c1-2-30-19(28)12-21(9-5-3-6-10-21)25-18(27)15-26-14-16(13-23-26)24-20(29)17-8-4-7-11-22-17/h4,7-8,11,13-14H,2-3,5-6,9-10,12,15H2,1H3,(H,24,29)(H,25,27).
What are the key properties of ethyl 2-[1-[[2-[4-(pyridine-2-carbonylamino)pyrazol-1-yl]acetyl]amino]cyclohexyl]acetate?
ethyl 2-[1-[[2-[4-(pyridine-2-carbonylamino)pyrazol-1-yl]acetyl]amino]cyclohexyl]acetate has a molecular weight of 413.48 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[[2-[4-(pyridine-2-carbonylamino)pyrazol-1-yl]acetyl]amino]cyclohexyl]acetate is sourced from PubChem (CID 26324333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).