[4-[(3-hydroxy-2-pyridinyl)methylcarbamoyloxy]cyclohexyl]methyl pyrrolidine-1-carboxylate

C19H27N3O5 — CID 140615191

IUPAC[4-[(3-hydroxy-2-pyridinyl)methylcarbamoyloxy]cyclohexyl]methyl pyrrolidine-1-carboxylate
SMILESO=C(NCc1ncccc1O)OC1CCC(COC(=O)N2CCCC2)CC1
InChIInChI=1S/C19H27N3O5/c23-17-4-3-9-20-16(17)12-21-18(24)27-15-7-5-14(6-8-15)13-26-19(25)22-10-1-2-11-22/h3-4,9,14-15,23H,1-2,5-8,10-13H2,(H,21,24)
InChIKeyKBZMKMJSMCMRPW-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.80
Rot. Bonds5

About [4-[(3-hydroxy-2-pyridinyl)methylcarbamoyloxy]cyclohexyl]methyl pyrrolidine-1-carboxylate

[4-[(3-hydroxy-2-pyridinyl)methylcarbamoyloxy]cyclohexyl]methyl pyrrolidine-1-carboxylate (PubChem CID 140615191) has the molecular formula C19H27N3O5 and a molecular weight of 377.44 g/mol. Its IUPAC name is [4-[(3-hydroxy-2-pyridinyl)methylcarbamoyloxy]cyclohexyl]methyl pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name[4-[(3-hydroxy-2-pyridinyl)methylcarbamoyloxy]cyclohexyl]methyl pyrrolidine-1-carboxylate
PubChem CID140615191
Molecular FormulaC19H27N3O5
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC Name[4-[(3-hydroxy-2-pyridinyl)methylcarbamoyloxy]cyclohexyl]methyl pyrrolidine-1-carboxylate
SMILESO=C(NCc1ncccc1O)OC1CCC(COC(=O)N2CCCC2)CC1
InChIInChI=1S/C19H27N3O5/c23-17-4-3-9-20-16(17)12-21-18(24)27-15-7-5-14(6-8-15)13-26-19(25)22-10-1-2-11-22/h3-4,9,14-15,23H,1-2,5-8,10-13H2,(H,21,24)
InChIKeyKBZMKMJSMCMRPW-UHFFFAOYSA-N
XLogP2.80
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2-pyridin-4-ylethylcarbamoyloxy)cyclohexyl]methyl pyrrolidine-1-carboxylate
CID 56953269
[4-[(2-chloro-3-pyridinyl)-methylcarbamoyl]oxycyclohexyl]methyl pyrrolidine-1-carboxylate
CID 87174562
[4-(pyridin-2-ylmethoxycarbonyloxy)cyclohexyl]methyl pyrrolidine-1-carboxylate
CID 56952291
[4-[methyl(pyridin-3-yl)carbamoyl]oxycyclohexyl]methyl pyrrolidine-1-carboxylate
CID 66837807
cyclohexylmethyl pyrrolidine-1-carboxylate
CID 85230627
[4-[(6-chloro-2-pyridinyl)methoxycarbonylamino]cyclohexyl]methyl pyrrolidine-1-carboxylate
CID 56952294
[4-[(1-hydroxypyridin-1-ium-4-yl)methoxycarbonylamino]cyclohexyl]methyl pyrrolidine-1-carboxylate
CID 66837943
ethyl 4-[[N'-methyl-N-[(3-methyl-2-pyridinyl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111788506
(2R)-N-[(3-hydroxy-2-pyridinyl)methyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 124739174
9H-fluoren-9-ylmethyl 4-(1H-imidazo[4,5-b]pyridin-2-ylamino)piperidine-1-carboxylate
CID 165499562
(1-methylpiperidin-4-yl) N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]carbamate
CID 122275461
cyclopentyl N-[(2,6-dichlorophenyl)methyl]carbamate
CID 168891045

Frequently Asked Questions

What is the IUPAC name of [4-[(3-hydroxy-2-pyridinyl)methylcarbamoyloxy]cyclohexyl]methyl pyrrolidine-1-carboxylate?
The IUPAC name of [4-[(3-hydroxy-2-pyridinyl)methylcarbamoyloxy]cyclohexyl]methyl pyrrolidine-1-carboxylate (CID 140615191) is [4-[(3-hydroxy-2-pyridinyl)methylcarbamoyloxy]cyclohexyl]methyl pyrrolidine-1-carboxylate.
What is the SMILES notation for [4-[(3-hydroxy-2-pyridinyl)methylcarbamoyloxy]cyclohexyl]methyl pyrrolidine-1-carboxylate?
The canonical SMILES for [4-[(3-hydroxy-2-pyridinyl)methylcarbamoyloxy]cyclohexyl]methyl pyrrolidine-1-carboxylate is O=C(NCc1ncccc1O)OC1CCC(COC(=O)N2CCCC2)CC1.
What is the InChIKey of [4-[(3-hydroxy-2-pyridinyl)methylcarbamoyloxy]cyclohexyl]methyl pyrrolidine-1-carboxylate?
The InChIKey is KBZMKMJSMCMRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5/c23-17-4-3-9-20-16(17)12-21-18(24)27-15-7-5-14(6-8-15)13-26-19(25)22-10-1-2-11-22/h3-4,9,14-15,23H,1-2,5-8,10-13H2,(H,21,24).
What are the key properties of [4-[(3-hydroxy-2-pyridinyl)methylcarbamoyloxy]cyclohexyl]methyl pyrrolidine-1-carboxylate?
[4-[(3-hydroxy-2-pyridinyl)methylcarbamoyloxy]cyclohexyl]methyl pyrrolidine-1-carboxylate has a molecular weight of 377.44 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-hydroxy-2-pyridinyl)methylcarbamoyloxy]cyclohexyl]methyl pyrrolidine-1-carboxylate is sourced from PubChem (CID 140615191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).