[3-[(6-methylpyridine-2-carbonyl)amino]-1-tricyclo[3.3.1.03,7]nonanyl] 4-methylpiperazine-1-carboxylate

C22H30N4O3 — CID 123587348

IUPAC[3-[(6-methylpyridine-2-carbonyl)amino]-1-tricyclo[3.3.1.03,7]nonanyl] 4-methylpiperazine-1-carboxylate
SMILESCc1cccc(C(=O)NC23CC4CC2CC(OC(=O)N2CCN(C)CC2)(C4)C3)n1
InChIInChI=1S/C22H30N4O3/c1-15-4-3-5-18(23-15)19(27)24-22-12-16-10-17(22)13-21(11-16,14-22)29-20(28)26-8-6-25(2)7-9-26/h3-5,16-17H,6-14H2,1-2H3,(H,24,27)
InChIKeyJPUORRYJYMVWOB-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.21
Rot. Bonds3

About [3-[(6-methylpyridine-2-carbonyl)amino]-1-tricyclo[3.3.1.03,7]nonanyl] 4-methylpiperazine-1-carboxylate

[3-[(6-methylpyridine-2-carbonyl)amino]-1-tricyclo[3.3.1.03,7]nonanyl] 4-methylpiperazine-1-carboxylate (PubChem CID 123587348) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is [3-[(6-methylpyridine-2-carbonyl)amino]-1-tricyclo[3.3.1.03,7]nonanyl] 4-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[3-[(6-methylpyridine-2-carbonyl)amino]-1-tricyclo[3.3.1.03,7]nonanyl] 4-methylpiperazine-1-carboxylate
PubChem CID123587348
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name[3-[(6-methylpyridine-2-carbonyl)amino]-1-tricyclo[3.3.1.03,7]nonanyl] 4-methylpiperazine-1-carboxylate
SMILESCc1cccc(C(=O)NC23CC4CC2CC(OC(=O)N2CCN(C)CC2)(C4)C3)n1
InChIInChI=1S/C22H30N4O3/c1-15-4-3-5-18(23-15)19(27)24-22-12-16-10-17(22)13-21(11-16,14-22)29-20(28)26-8-6-25(2)7-9-26/h3-5,16-17H,6-14H2,1-2H3,(H,24,27)
InChIKeyJPUORRYJYMVWOB-UHFFFAOYSA-N
XLogP2.21
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[(6-methylpyridine-2-carbonyl)amino]-1-tricyclo[3.3.1.03,7]nonanyl] 4-methylpiperazine-1-carboxylate with MolForge

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Related Compounds

[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl] azetidine-1-carboxylate
CID 53327442
6-(4-methylpiperazin-1-yl)-N-[3-(pyridine-2-carbonylamino)-1-adamantyl]pyridine-2-carboxamide
CID 58358484
N-[3-[(4-bromopyridine-2-carbonyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide
CID 58358628
6-methyl-N-[3-(oxan-4-ylmethylamino)-1-adamantyl]pyridine-2-carboxamide
CID 123657933
2,2,2-trifluoroethyl N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]carbamate
CID 67323386
2-(2-methoxyethoxy)ethyl N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]carbamate
CID 67323372
6-methyl-N-[3-(propylcarbamoylamino)-1-adamantyl]pyridine-2-carboxamide
CID 53327007
6-methyl-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridine-2-carboxamide
CID 60581974
N-[3-[(3-cyanobenzoyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide
CID 44633442
N-[3-[2-(6-fluoro-2-pyridinyl)-2-oxoethyl]-1-adamantyl]-6-methylpyridine-2-carboxamide
CID 58358675
N-(3-amino-1-adamantyl)-6-methylpyridine-2-carboxamide;6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 162621415
(4-methylpiperazin-1-yl)-(6-methyl-2-pyridinyl)methanimine
CID 63555290

Frequently Asked Questions

What is the IUPAC name of [3-[(6-methylpyridine-2-carbonyl)amino]-1-tricyclo[3.3.1.03,7]nonanyl] 4-methylpiperazine-1-carboxylate?
The IUPAC name of [3-[(6-methylpyridine-2-carbonyl)amino]-1-tricyclo[3.3.1.03,7]nonanyl] 4-methylpiperazine-1-carboxylate (CID 123587348) is [3-[(6-methylpyridine-2-carbonyl)amino]-1-tricyclo[3.3.1.03,7]nonanyl] 4-methylpiperazine-1-carboxylate.
What is the SMILES notation for [3-[(6-methylpyridine-2-carbonyl)amino]-1-tricyclo[3.3.1.03,7]nonanyl] 4-methylpiperazine-1-carboxylate?
The canonical SMILES for [3-[(6-methylpyridine-2-carbonyl)amino]-1-tricyclo[3.3.1.03,7]nonanyl] 4-methylpiperazine-1-carboxylate is Cc1cccc(C(=O)NC23CC4CC2CC(OC(=O)N2CCN(C)CC2)(C4)C3)n1.
What is the InChIKey of [3-[(6-methylpyridine-2-carbonyl)amino]-1-tricyclo[3.3.1.03,7]nonanyl] 4-methylpiperazine-1-carboxylate?
The InChIKey is JPUORRYJYMVWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-15-4-3-5-18(23-15)19(27)24-22-12-16-10-17(22)13-21(11-16,14-22)29-20(28)26-8-6-25(2)7-9-26/h3-5,16-17H,6-14H2,1-2H3,(H,24,27).
What are the key properties of [3-[(6-methylpyridine-2-carbonyl)amino]-1-tricyclo[3.3.1.03,7]nonanyl] 4-methylpiperazine-1-carboxylate?
[3-[(6-methylpyridine-2-carbonyl)amino]-1-tricyclo[3.3.1.03,7]nonanyl] 4-methylpiperazine-1-carboxylate has a molecular weight of 398.51 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(6-methylpyridine-2-carbonyl)amino]-1-tricyclo[3.3.1.03,7]nonanyl] 4-methylpiperazine-1-carboxylate is sourced from PubChem (CID 123587348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).