(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

C50H64N8O7 — CID 165029548

IUPAC(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
SMILESCCC(=O)c1cc(-c2cc(NC(=O)N3CC[C@@H](CC)C3)ccc2C)cc(N2CCOCC2)n1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(C(=O)O)nc(N4CCOCC4)c3)c2)C1
InChIInChI=1S/C26H34N4O3.C24H30N4O4/c1-4-19-8-9-30(17-19)26(32)27-21-7-6-18(3)22(16-21)20-14-23(24(31)5-2)28-25(15-20)29-10-12-33-13-11-29;1-3-17-6-7-28(15-17)24(31)25-19-5-4-16(2)20(14-19)18-12-21(23(29)30)26-22(13-18)27-8-10-32-11-9-27/h6-7,14-16,19H,4-5,8-13,17H2,1-3H3,(H,27,32);4-5,12-14,17H,3,6-11,15H2,1-2H3,(H,25,31)(H,29,30)/t19-;17-/m11/s1
InChIKeyMKUJNPALZYNULI-QNFVJCEESA-N
MW889.11 g/mol
LogP8.61
Rot. Bonds11

About (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

(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 (PubChem CID 165029548) has the molecular formula C50H64N8O7 and a molecular weight of 889.11 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID165029548
Molecular FormulaC50H64N8O7
Molecular Weight889.11 g/mol
Exact Mass888.49
IUPAC Name(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
SMILESCCC(=O)c1cc(-c2cc(NC(=O)N3CC[C@@H](CC)C3)ccc2C)cc(N2CCOCC2)n1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(C(=O)O)nc(N4CCOCC4)c3)c2)C1
InChIInChI=1S/C26H34N4O3.C24H30N4O4/c1-4-19-8-9-30(17-19)26(32)27-21-7-6-18(3)22(16-21)20-14-23(24(31)5-2)28-25(15-20)29-10-12-33-13-11-29;1-3-17-6-7-28(15-17)24(31)25-19-5-4-16(2)20(14-19)18-12-21(23(29)30)26-22(13-18)27-8-10-32-11-9-27/h6-7,14-16,19H,4-5,8-13,17H2,1-3H3,(H,27,32);4-5,12-14,17H,3,6-11,15H2,1-2H3,(H,25,31)(H,29,30)/t19-;17-/m11/s1
InChIKeyMKUJNPALZYNULI-QNFVJCEESA-N
XLogP8.61
TPSA169.77 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.11
LogP ≤ 58.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze (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 with MolForge

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Related Compounds

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
(3R)-3-ethyl-N-[3-[2-(1-ethylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide
CID 164983361
(3S)-N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 162764852
(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
(3S)-N-[3-[2-(hydroxymethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 162764742
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-(tert-butylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 162468212
(3S)-N-[4-methyl-3-[2-[(3S)-3-methylpyrrolidin-1-yl]-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 159144908
N-[4-methyl-3-[2-morpholin-4-yl-6-(1H-pyrazol-4-yl)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 164709617
N-[3-[2-(3-hydroxy-3-methylbut-1-ynyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 164709641
N-[3-[2-(2-hydroxypropylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 166758628

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCC(=O)c1cc(-c2cc(NC(=O)N3CC[C@@H](CC)C3)ccc2C)cc(N2CCOCC2)n1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(C(=O)O)nc(N4CCOCC4)c3)c2)C1.
What is the InChIKey of (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?
The InChIKey is MKUJNPALZYNULI-QNFVJCEESA-N. The full InChI is InChI=1S/C26H34N4O3.C24H30N4O4/c1-4-19-8-9-30(17-19)26(32)27-21-7-6-18(3)22(16-21)20-14-23(24(31)5-2)28-25(15-20)29-10-12-33-13-11-29;1-3-17-6-7-28(15-17)24(31)25-19-5-4-16(2)20(14-19)18-12-21(23(29)30)26-22(13-18)27-8-10-32-11-9-27/h6-7,14-16,19H,4-5,8-13,17H2,1-3H3,(H,27,32);4-5,12-14,17H,3,6-11,15H2,1-2H3,(H,25,31)(H,29,30)/t19-;17-/m11/s1.
What are the key properties of (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?
(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 has a molecular weight of 889.11 g/mol, XLogP of 8.61, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 165029548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).