(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

C27H36N4O3 — CID 157428408

IUPAC(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
SMILESCC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(N[C@H](C)CO)nc(C4=CCOCC4)c3)c2)C1
InChIInChI=1S/C27H36N4O3/c1-4-20-7-10-31(16-20)27(33)29-23-6-5-18(2)24(15-23)22-13-25(21-8-11-34-12-9-21)30-26(14-22)28-19(3)17-32/h5-6,8,13-15,19-20,32H,4,7,9-12,16-17H2,1-3H3,(H,28,30)(H,29,33)/t19-,20-/m1/s1
InChIKeyLKWHMBDBEGBRBI-WOJBJXKFSA-N
MW464.61 g/mol
LogP4.92
Rot. Bonds7

About (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

(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 (PubChem CID 157428408) has the molecular formula C27H36N4O3 and a molecular weight of 464.61 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID157428408
Molecular FormulaC27H36N4O3
Molecular Weight464.61 g/mol
Exact Mass464.28
IUPAC Name(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
SMILESCC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(N[C@H](C)CO)nc(C4=CCOCC4)c3)c2)C1
InChIInChI=1S/C27H36N4O3/c1-4-20-7-10-31(16-20)27(33)29-23-6-5-18(2)24(15-23)22-13-25(21-8-11-34-12-9-21)30-26(14-22)28-19(3)17-32/h5-6,8,13-15,19-20,32H,4,7,9-12,16-17H2,1-3H3,(H,28,30)(H,29,33)/t19-,20-/m1/s1
InChIKeyLKWHMBDBEGBRBI-WOJBJXKFSA-N
XLogP4.92
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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Related Compounds

(3R)-N-[3-[2-(3,6-dihydro-2H-pyran-4-yl)-6-[[(2R)-2-hydroxypropyl]amino]-4-pyridinyl]-4-methylphenyl]-3-(3,3,3-trifluoropropyl)pyrrolidine-1-carboxamide
CID 166768638
(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
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)-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
(3S)-N-[3-[2-(cyclohexen-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 164973294
(3R)-3-ethyl-N-[3-[2-(1-ethylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide
CID 164983361
4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N,N-dimethyl-6-morpholin-4-ylpyridine-2-carboxamide
CID 164970643
(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
(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
(2S)-1-[(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)amino]propan-2-ol;4-(4,6-dichloropyrimidin-2-yl)morpholine;(3R)-3-ethyl-N-[3-[6-[[(2S)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyrrolidine-1-carboxamide
CID 159675614
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)-3-ethyl-N-[4-methyl-3-[2-(1-methylpiperidin-3-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-6-piperidin-3-yl-4-pyridinyl)phenyl]pyrrolidine-1-carboxamide
CID 167540727

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(N[C@H](C)CO)nc(C4=CCOCC4)c3)c2)C1.
What is the InChIKey of (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?
The InChIKey is LKWHMBDBEGBRBI-WOJBJXKFSA-N. The full InChI is InChI=1S/C27H36N4O3/c1-4-20-7-10-31(16-20)27(33)29-23-6-5-18(2)24(15-23)22-13-25(21-8-11-34-12-9-21)30-26(14-22)28-19(3)17-32/h5-6,8,13-15,19-20,32H,4,7,9-12,16-17H2,1-3H3,(H,28,30)(H,29,33)/t19-,20-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 464.61 g/mol, XLogP of 4.92, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 157428408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).