tert-butyl (3R)-3-[[4-[5-(2-ethoxy-3-pyridinyl)-2-pyridinyl]piperidine-4-carbonyl]amino]pyrrolidine-1-carboxylate

C27H37N5O4 — CID 156793091

IUPACtert-butyl (3R)-3-[[4-[5-(2-ethoxy-3-pyridinyl)-2-pyridinyl]piperidine-4-carbonyl]amino]pyrrolidine-1-carboxylate
SMILESCCOc1ncccc1-c1ccc(C2(C(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CCNCC2)nc1
InChIInChI=1S/C27H37N5O4/c1-5-35-23-21(7-6-13-29-23)19-8-9-22(30-17-19)27(11-14-28-15-12-27)24(33)31-20-10-16-32(18-20)25(34)36-26(2,3)4/h6-9,13,17,20,28H,5,10-12,14-16,18H2,1-4H3,(H,31,33)/t20-/m1/s1
InChIKeyHQXUHYAIPZEEKJ-HXUWFJFHSA-N
MW495.62 g/mol
LogP3.29
Rot. Bonds6

About tert-butyl (3R)-3-[[4-[5-(2-ethoxy-3-pyridinyl)-2-pyridinyl]piperidine-4-carbonyl]amino]pyrrolidine-1-carboxylate

tert-butyl (3R)-3-[[4-[5-(2-ethoxy-3-pyridinyl)-2-pyridinyl]piperidine-4-carbonyl]amino]pyrrolidine-1-carboxylate (PubChem CID 156793091) has the molecular formula C27H37N5O4 and a molecular weight of 495.62 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[4-[5-(2-ethoxy-3-pyridinyl)-2-pyridinyl]piperidine-4-carbonyl]amino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[[4-[5-(2-ethoxy-3-pyridinyl)-2-pyridinyl]piperidine-4-carbonyl]amino]pyrrolidine-1-carboxylate
PubChem CID156793091
Molecular FormulaC27H37N5O4
Molecular Weight495.62 g/mol
Exact Mass495.28
IUPAC Nametert-butyl (3R)-3-[[4-[5-(2-ethoxy-3-pyridinyl)-2-pyridinyl]piperidine-4-carbonyl]amino]pyrrolidine-1-carboxylate
SMILESCCOc1ncccc1-c1ccc(C2(C(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CCNCC2)nc1
InChIInChI=1S/C27H37N5O4/c1-5-35-23-21(7-6-13-29-23)19-8-9-22(30-17-19)27(11-14-28-15-12-27)24(33)31-20-10-16-32(18-20)25(34)36-26(2,3)4/h6-9,13,17,20,28H,5,10-12,14-16,18H2,1-4H3,(H,31,33)/t20-/m1/s1
InChIKeyHQXUHYAIPZEEKJ-HXUWFJFHSA-N
XLogP3.29
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.62
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl (3R)-3-[[4-[5-(2-ethoxy-3-pyridinyl)-2-pyridinyl]piperidine-4-carbonyl]amino]pyrrolidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

1-O-tert-butyl 4-O-methyl 4-[6-(2-ethoxy-3-pyridinyl)pyridazin-3-yl]piperidine-1,4-dicarboxylate
CID 156502333
tert-butyl 4-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 47072487
tert-butyl (3S)-3-(pyrimidin-2-ylamino)pyrrolidine-1-carboxylate
CID 71301820
tert-butyl 4-[2-(aminomethyl)-4-(2-ethoxy-3-pyridinyl)phenyl]piperazine-1-carboxylate
CID 170576656
tert-butyl 4-[2-cyano-4-(2-ethoxy-3-pyridinyl)phenyl]piperazine-1-carboxylate;ethane
CID 170576680
tert-butyl N-[1-[N-[(2-ethoxy-3-pyridinyl)methyl]-N'-methylcarbamimidoyl]pyrrolidin-3-yl]carbamate
CID 111728943
tert-butyl 3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylate
CID 66630666
tert-butyl 3-[[2-(methylamino)benzoyl]amino]pyrrolidine-1-carboxylate
CID 119054201
6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylic acid
CID 146361413
tert-butyl (3S)-3-(quinolin-5-ylamino)pyrrolidine-1-carboxylate
CID 156685077
tert-butyl (3R)-3-[(2-phenoxyacetyl)amino]pyrrolidine-1-carboxylate
CID 96510561
tert-butyl 4-acetyl-4-pyridin-2-ylpiperidine-1-carboxylate
CID 67465657

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[[4-[5-(2-ethoxy-3-pyridinyl)-2-pyridinyl]piperidine-4-carbonyl]amino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[[4-[5-(2-ethoxy-3-pyridinyl)-2-pyridinyl]piperidine-4-carbonyl]amino]pyrrolidine-1-carboxylate (CID 156793091) is tert-butyl (3R)-3-[[4-[5-(2-ethoxy-3-pyridinyl)-2-pyridinyl]piperidine-4-carbonyl]amino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[[4-[5-(2-ethoxy-3-pyridinyl)-2-pyridinyl]piperidine-4-carbonyl]amino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[[4-[5-(2-ethoxy-3-pyridinyl)-2-pyridinyl]piperidine-4-carbonyl]amino]pyrrolidine-1-carboxylate is CCOc1ncccc1-c1ccc(C2(C(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CCNCC2)nc1.
What is the InChIKey of tert-butyl (3R)-3-[[4-[5-(2-ethoxy-3-pyridinyl)-2-pyridinyl]piperidine-4-carbonyl]amino]pyrrolidine-1-carboxylate?
The InChIKey is HQXUHYAIPZEEKJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H37N5O4/c1-5-35-23-21(7-6-13-29-23)19-8-9-22(30-17-19)27(11-14-28-15-12-27)24(33)31-20-10-16-32(18-20)25(34)36-26(2,3)4/h6-9,13,17,20,28H,5,10-12,14-16,18H2,1-4H3,(H,31,33)/t20-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[[4-[5-(2-ethoxy-3-pyridinyl)-2-pyridinyl]piperidine-4-carbonyl]amino]pyrrolidine-1-carboxylate?
tert-butyl (3R)-3-[[4-[5-(2-ethoxy-3-pyridinyl)-2-pyridinyl]piperidine-4-carbonyl]amino]pyrrolidine-1-carboxylate has a molecular weight of 495.62 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[[4-[5-(2-ethoxy-3-pyridinyl)-2-pyridinyl]piperidine-4-carbonyl]amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 156793091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).