methyl N-[1-(4-cyclopentyloxypyridine-2-carbonyl)pyrrolidin-3-yl]carbamate

C17H23N3O4 — CID 166296354

IUPACmethyl N-[1-(4-cyclopentyloxypyridine-2-carbonyl)pyrrolidin-3-yl]carbamate
SMILESCOC(=O)NC1CCN(C(=O)c2cc(OC3CCCC3)ccn2)C1
InChIInChI=1S/C17H23N3O4/c1-23-17(22)19-12-7-9-20(11-12)16(21)15-10-14(6-8-18-15)24-13-4-2-3-5-13/h6,8,10,12-13H,2-5,7,9,11H2,1H3,(H,19,22)
InChIKeyMWDOTOMTBSQHDM-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.97
Rot. Bonds4

About methyl N-[1-(4-cyclopentyloxypyridine-2-carbonyl)pyrrolidin-3-yl]carbamate

methyl N-[1-(4-cyclopentyloxypyridine-2-carbonyl)pyrrolidin-3-yl]carbamate (PubChem CID 166296354) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is methyl N-[1-(4-cyclopentyloxypyridine-2-carbonyl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(4-cyclopentyloxypyridine-2-carbonyl)pyrrolidin-3-yl]carbamate
PubChem CID166296354
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Namemethyl N-[1-(4-cyclopentyloxypyridine-2-carbonyl)pyrrolidin-3-yl]carbamate
SMILESCOC(=O)NC1CCN(C(=O)c2cc(OC3CCCC3)ccn2)C1
InChIInChI=1S/C17H23N3O4/c1-23-17(22)19-12-7-9-20(11-12)16(21)15-10-14(6-8-18-15)24-13-4-2-3-5-13/h6,8,10,12-13H,2-5,7,9,11H2,1H3,(H,19,22)
InChIKeyMWDOTOMTBSQHDM-UHFFFAOYSA-N
XLogP1.97
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclohexyloxypyridine-2-carboxylic acid
CID 43142909
methyl 4-[3-[(2-carbamoyl-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate
CID 122256644
4-[1-(cyclopentylcarbamoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122257046
methyl N-[1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]carbamate
CID 113402195
methyl N-[(3S)-1-benzoylpyrrolidin-3-yl]carbamate
CID 124575994
4-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidin-3-yl]oxypyridine-2-carboxamide
CID 129354873
ethyl 4-[[2-(3-methylpiperidine-1-carbonyl)-4-pyridinyl]amino]piperidine-1-carboxylate
CID 109215872
methyl N-[1-(5-amino-2,3-dichlorobenzoyl)pyrrolidin-3-yl]carbamate
CID 107185781
4-[1-(4-bromobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256718
4-[1-(1-acetylpiperidine-4-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256655
4-[1-(4-fluorobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256712
methyl N-[1-(pyridine-4-carbonyl)piperidin-4-yl]carbamate
CID 110821211

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(4-cyclopentyloxypyridine-2-carbonyl)pyrrolidin-3-yl]carbamate?
The IUPAC name of methyl N-[1-(4-cyclopentyloxypyridine-2-carbonyl)pyrrolidin-3-yl]carbamate (CID 166296354) is methyl N-[1-(4-cyclopentyloxypyridine-2-carbonyl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[1-(4-cyclopentyloxypyridine-2-carbonyl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for methyl N-[1-(4-cyclopentyloxypyridine-2-carbonyl)pyrrolidin-3-yl]carbamate is COC(=O)NC1CCN(C(=O)c2cc(OC3CCCC3)ccn2)C1.
What is the InChIKey of methyl N-[1-(4-cyclopentyloxypyridine-2-carbonyl)pyrrolidin-3-yl]carbamate?
The InChIKey is MWDOTOMTBSQHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-23-17(22)19-12-7-9-20(11-12)16(21)15-10-14(6-8-18-15)24-13-4-2-3-5-13/h6,8,10,12-13H,2-5,7,9,11H2,1H3,(H,19,22).
What are the key properties of methyl N-[1-(4-cyclopentyloxypyridine-2-carbonyl)pyrrolidin-3-yl]carbamate?
methyl N-[1-(4-cyclopentyloxypyridine-2-carbonyl)pyrrolidin-3-yl]carbamate has a molecular weight of 333.39 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(4-cyclopentyloxypyridine-2-carbonyl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 166296354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).