(3R)-3-ethyl-N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-[(1S,6R)-3-oxabicyclo[4.1.0]heptan-6-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-[(1R,6S)-3-oxabicyclo[4.1.0]heptan-6-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide

C56H76N8O6 — CID 161449027

IUPAC(3R)-3-ethyl-N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-[(1S,6R)-3-oxabicyclo[4.1.0]heptan-6-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-[(1R,6S)-3-oxabicyclo[4.1.0]heptan-6-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide
SMILESCC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(N[C@H](C)CO)nc([C@@]45CCOC[C@@H]4C5)c3)c2)C1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(N[C@H](C)CO)nc([C@]45CCOC[C@H]4C5)c3)c2)C1
InChIInChI=1S/2C28H38N4O3/c2*1-4-20-7-9-32(15-20)27(34)30-23-6-5-18(2)24(13-23)21-11-25(28-8-10-35-17-22(28)14-28)31-26(12-21)29-19(3)16-33/h2*5-6,11-13,19-20,22,33H,4,7-10,14-17H2,1-3H3,(H,29,31)(H,30,34)/t19-,20-,22+,28-;19-,20-,22-,28+/m11/s1
InChIKeyWAGYCEJFHYLTOP-XIBIBTBWSA-N
MW957.27 g/mol
LogP9.58
Rot. Bonds14

About (3R)-3-ethyl-N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-[(1S,6R)-3-oxabicyclo[4.1.0]heptan-6-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-[(1R,6S)-3-oxabicyclo[4.1.0]heptan-6-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide

(3R)-3-ethyl-N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-[(1S,6R)-3-oxabicyclo[4.1.0]heptan-6-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-[(1R,6S)-3-oxabicyclo[4.1.0]heptan-6-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide (PubChem CID 161449027) has the molecular formula C56H76N8O6 and a molecular weight of 957.27 g/mol. Its IUPAC name is (3R)-3-ethyl-N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-[(1S,6R)-3-oxabicyclo[4.1.0]heptan-6-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-[(1R,6S)-3-oxabicyclo[4.1.0]heptan-6-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-ethyl-N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-[(1S,6R)-3-oxabicyclo[4.1.0]heptan-6-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-[(1R,6S)-3-oxabicyclo[4.1.0]heptan-6-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide
PubChem CID161449027
Molecular FormulaC56H76N8O6
Molecular Weight957.27 g/mol
Exact Mass956.59
IUPAC Name(3R)-3-ethyl-N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-[(1S,6R)-3-oxabicyclo[4.1.0]heptan-6-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-[(1R,6S)-3-oxabicyclo[4.1.0]heptan-6-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide
SMILESCC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(N[C@H](C)CO)nc([C@@]45CCOC[C@@H]4C5)c3)c2)C1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(N[C@H](C)CO)nc([C@]45CCOC[C@H]4C5)c3)c2)C1
InChIInChI=1S/2C28H38N4O3/c2*1-4-20-7-9-32(15-20)27(34)30-23-6-5-18(2)24(13-23)21-11-25(28-8-10-35-17-22(28)14-28)31-26(12-21)29-19(3)16-33/h2*5-6,11-13,19-20,22,33H,4,7-10,14-17H2,1-3H3,(H,29,31)(H,30,34)/t19-,20-,22+,28-;19-,20-,22-,28+/m11/s1
InChIKeyWAGYCEJFHYLTOP-XIBIBTBWSA-N
XLogP9.58
TPSA173.44 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500957.27
LogP ≤ 59.58
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze (3R)-3-ethyl-N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-[(1S,6R)-3-oxabicyclo[4.1.0]heptan-6-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-[(1R,6S)-3-oxabicyclo[4.1.0]heptan-6-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3R)-N-[3-[2-(3,6-dihydro-2H-pyran-4-yl)-6-[[(2R)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide
CID 157428408
(3R)-N-[3-[2-chloro-6-[[(2S)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(2S)-2-[(6-chloro-4-iodo-2-pyridinyl)amino]propan-1-ol;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane
CID 159010458
N-[3-[6-[[(2S)-1-hydroxypropan-2-yl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 162468128
(3R)-3-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-6-propanoyl-4-pyridinyl)phenyl]pyrrolidine-1-carboxamide;4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid
CID 165029548
4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N,N-dimethyl-6-morpholin-4-ylpyridine-2-carboxamide
CID 164970643
(3R)-N-[3-[2-(3,3-difluoro-4-hydroxypyrrolidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide
CID 159491474
N-[3-[2-[[(2S)-2,3-dihydroxypropyl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 162468113
(3R)-N-[3-[2-[[(1S)-3,3-difluorocyclopentyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-N-[3-[2-[[(1R)-3,3-difluorocyclopentyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3R)-N-[3-[2-[(3,3-difluorocyclopentyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide
CID 162025467
N-[3-[2-(2-hydroxypropylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 166758628
(3R)-3-ethyl-N-[3-[2-(1-ethylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide
CID 164983361
tert-butyl N-[(3S)-1-[4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]-3-methylpyrrolidin-3-yl]carbamate
CID 157299416
N-[3-[2-(2-hydroxyethoxy)-6-[(1S,6R)-3-oxabicyclo[4.1.0]heptan-6-yl]-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 167353170

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-[(1S,6R)-3-oxabicyclo[4.1.0]heptan-6-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-[(1R,6S)-3-oxabicyclo[4.1.0]heptan-6-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-ethyl-N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-[(1S,6R)-3-oxabicyclo[4.1.0]heptan-6-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-[(1R,6S)-3-oxabicyclo[4.1.0]heptan-6-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide (CID 161449027) is (3R)-3-ethyl-N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-[(1S,6R)-3-oxabicyclo[4.1.0]heptan-6-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-[(1R,6S)-3-oxabicyclo[4.1.0]heptan-6-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-ethyl-N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-[(1S,6R)-3-oxabicyclo[4.1.0]heptan-6-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-[(1R,6S)-3-oxabicyclo[4.1.0]heptan-6-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-ethyl-N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-[(1S,6R)-3-oxabicyclo[4.1.0]heptan-6-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-[(1R,6S)-3-oxabicyclo[4.1.0]heptan-6-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide is CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(N[C@H](C)CO)nc([C@@]45CCOC[C@@H]4C5)c3)c2)C1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(N[C@H](C)CO)nc([C@]45CCOC[C@H]4C5)c3)c2)C1.
What is the InChIKey of (3R)-3-ethyl-N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-[(1S,6R)-3-oxabicyclo[4.1.0]heptan-6-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-[(1R,6S)-3-oxabicyclo[4.1.0]heptan-6-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide?
The InChIKey is WAGYCEJFHYLTOP-XIBIBTBWSA-N. The full InChI is InChI=1S/2C28H38N4O3/c2*1-4-20-7-9-32(15-20)27(34)30-23-6-5-18(2)24(13-23)21-11-25(28-8-10-35-17-22(28)14-28)31-26(12-21)29-19(3)16-33/h2*5-6,11-13,19-20,22,33H,4,7-10,14-17H2,1-3H3,(H,29,31)(H,30,34)/t19-,20-,22+,28-;19-,20-,22-,28+/m11/s1.
What are the key properties of (3R)-3-ethyl-N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-[(1S,6R)-3-oxabicyclo[4.1.0]heptan-6-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-[(1R,6S)-3-oxabicyclo[4.1.0]heptan-6-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide?
(3R)-3-ethyl-N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-[(1S,6R)-3-oxabicyclo[4.1.0]heptan-6-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-[(1R,6S)-3-oxabicyclo[4.1.0]heptan-6-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide has a molecular weight of 957.27 g/mol, XLogP of 9.58, 14 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-[(1S,6R)-3-oxabicyclo[4.1.0]heptan-6-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-[(1R,6S)-3-oxabicyclo[4.1.0]heptan-6-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 161449027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).