[4-[methyl(pyridin-3-yl)carbamoyl]oxycyclohexyl]methyl pyrrolidine-1-carboxylate

C19H27N3O4 — CID 66837807

IUPAC[4-[methyl(pyridin-3-yl)carbamoyl]oxycyclohexyl]methyl pyrrolidine-1-carboxylate
SMILESCN(C(=O)OC1CCC(COC(=O)N2CCCC2)CC1)c1cccnc1
InChIInChI=1S/C19H27N3O4/c1-21(16-5-4-10-20-13-16)18(23)26-17-8-6-15(7-9-17)14-25-19(24)22-11-2-3-12-22/h4-5,10,13,15,17H,2-3,6-9,11-12,14H2,1H3
InChIKeyPQWWZPKWUGWWCK-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.45
Rot. Bonds4

About [4-[methyl(pyridin-3-yl)carbamoyl]oxycyclohexyl]methyl pyrrolidine-1-carboxylate

[4-[methyl(pyridin-3-yl)carbamoyl]oxycyclohexyl]methyl pyrrolidine-1-carboxylate (PubChem CID 66837807) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is [4-[methyl(pyridin-3-yl)carbamoyl]oxycyclohexyl]methyl pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name[4-[methyl(pyridin-3-yl)carbamoyl]oxycyclohexyl]methyl pyrrolidine-1-carboxylate
PubChem CID66837807
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name[4-[methyl(pyridin-3-yl)carbamoyl]oxycyclohexyl]methyl pyrrolidine-1-carboxylate
SMILESCN(C(=O)OC1CCC(COC(=O)N2CCCC2)CC1)c1cccnc1
InChIInChI=1S/C19H27N3O4/c1-21(16-5-4-10-20-13-16)18(23)26-17-8-6-15(7-9-17)14-25-19(24)22-11-2-3-12-22/h4-5,10,13,15,17H,2-3,6-9,11-12,14H2,1H3
InChIKeyPQWWZPKWUGWWCK-UHFFFAOYSA-N
XLogP3.45
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[methyl(pyridin-3-yl)carbamoyl]oxycyclohexyl]methyl pyrrolidine-1-carboxylate?
The IUPAC name of [4-[methyl(pyridin-3-yl)carbamoyl]oxycyclohexyl]methyl pyrrolidine-1-carboxylate (CID 66837807) is [4-[methyl(pyridin-3-yl)carbamoyl]oxycyclohexyl]methyl pyrrolidine-1-carboxylate.
What is the SMILES notation for [4-[methyl(pyridin-3-yl)carbamoyl]oxycyclohexyl]methyl pyrrolidine-1-carboxylate?
The canonical SMILES for [4-[methyl(pyridin-3-yl)carbamoyl]oxycyclohexyl]methyl pyrrolidine-1-carboxylate is CN(C(=O)OC1CCC(COC(=O)N2CCCC2)CC1)c1cccnc1.
What is the InChIKey of [4-[methyl(pyridin-3-yl)carbamoyl]oxycyclohexyl]methyl pyrrolidine-1-carboxylate?
The InChIKey is PQWWZPKWUGWWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-21(16-5-4-10-20-13-16)18(23)26-17-8-6-15(7-9-17)14-25-19(24)22-11-2-3-12-22/h4-5,10,13,15,17H,2-3,6-9,11-12,14H2,1H3.
What are the key properties of [4-[methyl(pyridin-3-yl)carbamoyl]oxycyclohexyl]methyl pyrrolidine-1-carboxylate?
[4-[methyl(pyridin-3-yl)carbamoyl]oxycyclohexyl]methyl pyrrolidine-1-carboxylate has a molecular weight of 361.44 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methyl(pyridin-3-yl)carbamoyl]oxycyclohexyl]methyl pyrrolidine-1-carboxylate is sourced from PubChem (CID 66837807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).