4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N-(2-hydroxyethyl)-N-methyl-6-morpholin-4-ylpyridine-2-carboxamide;4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;2-(methylamino)ethanol

C54H76N10O9 — CID 164972016

IUPAC4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N-(2-hydroxyethyl)-N-methyl-6-morpholin-4-ylpyridine-2-carboxamide;4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;2-(methylamino)ethanol
SMILESCC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(C(=O)N(C)CCO)nc(N4CCOCC4)c3)c2)C1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(C(=O)O)nc(N4CCOCC4)c3)c2)C1.CNCCO
InChIInChI=1S/C27H37N5O4.C24H30N4O4.C3H9NO/c1-4-20-7-8-32(18-20)27(35)28-22-6-5-19(2)23(17-22)21-15-24(26(34)30(3)9-12-33)29-25(16-21)31-10-13-36-14-11-31;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;1-4-2-3-5/h5-6,15-17,20,33H,4,7-14,18H2,1-3H3,(H,28,35);4-5,12-14,17H,3,6-11,15H2,1-2H3,(H,25,31)(H,29,30);4-5H,2-3H2,1H3/t20-;17-;/m11./s1
InChIKeyDGGRPLISYPAUFE-XHPJQJEWSA-N
MW1009.26 g/mol
LogP6.28
Rot. Bonds14

About 4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N-(2-hydroxyethyl)-N-methyl-6-morpholin-4-ylpyridine-2-carboxamide;4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;2-(methylamino)ethanol

4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N-(2-hydroxyethyl)-N-methyl-6-morpholin-4-ylpyridine-2-carboxamide;4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;2-(methylamino)ethanol (PubChem CID 164972016) has the molecular formula C54H76N10O9 and a molecular weight of 1009.26 g/mol. Its IUPAC name is 4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N-(2-hydroxyethyl)-N-methyl-6-morpholin-4-ylpyridine-2-carboxamide;4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;2-(methylamino)ethanol.

Molecular Properties

Compound Name4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N-(2-hydroxyethyl)-N-methyl-6-morpholin-4-ylpyridine-2-carboxamide;4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;2-(methylamino)ethanol
PubChem CID164972016
Molecular FormulaC54H76N10O9
Molecular Weight1009.26 g/mol
Exact Mass1008.58
IUPAC Name4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N-(2-hydroxyethyl)-N-methyl-6-morpholin-4-ylpyridine-2-carboxamide;4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;2-(methylamino)ethanol
SMILESCC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(C(=O)N(C)CCO)nc(N4CCOCC4)c3)c2)C1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(C(=O)O)nc(N4CCOCC4)c3)c2)C1.CNCCO
InChIInChI=1S/C27H37N5O4.C24H30N4O4.C3H9NO/c1-4-20-7-8-32(18-20)27(35)28-22-6-5-19(2)23(17-22)21-15-24(26(34)30(3)9-12-33)29-25(16-21)31-10-13-36-14-11-31;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;1-4-2-3-5/h5-6,15-17,20,33H,4,7-14,18H2,1-3H3,(H,28,35);4-5,12-14,17H,3,6-11,15H2,1-2H3,(H,25,31)(H,29,30);4-5H,2-3H2,1H3/t20-;17-;/m11./s1
InChIKeyDGGRPLISYPAUFE-XHPJQJEWSA-N
XLogP6.28
TPSA225.50 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms73
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001009.26
LogP ≤ 56.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Analyze 4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N-(2-hydroxyethyl)-N-methyl-6-morpholin-4-ylpyridine-2-carboxamide;4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;2-(methylamino)ethanol with MolForge

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Related Compounds

6-[3-(3-Fluoropyrrolidin-1-yl)anilino]-5-(2-methylpropanimidoyl)-4-(4-morpholin-4-ylphenyl)pyridine-2-carboxylic acid
CID 129023907
N-[3-[2-(2-hydroxyethylamino)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[2-(4-hydroxyoxan-4-yl)-6-(2-oxo-1,3-oxazolidin-3-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 157573657
2-(1,1-difluoropropyl)-N-[3-[2-(4-hydroxypiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethylamino)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethylamino)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[2-(4-hydroxyoxan-4-yl)-6-(2-oxo-1,3-oxazolidin-3-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[2-(4-hydroxyoxan-4-yl)-6-(2-oxo-1,3-oxazolidin-3-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 159444016
4-[2-Methyl-5-(pyrrolidine-1-carbonylamino)phenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;1,1,1-trifluoroethane
CID 162764745
6-(3,6-dihydro-2H-1,4-oxazin-4-ium-4-yl)-4-[2-methyl-5-[[(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carbonyl]amino]phenyl]pyridine-2-carboxylic acid
CID 162764838
4-[2-methyl-5-[[(3S)-3-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrrol-1-ium-1-carbonyl]amino]phenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid
CID 162764857
4-[2-methyl-5-[[(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carbonyl]amino]phenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid
CID 162764949
carbon dioxide;4-(4-chloro-6-methyl-2-pyridinyl)morpholine;4-chloro-6-morpholin-4-ylpyridine-2-carbaldehyde;(4-chloro-6-morpholin-4-yl-2-pyridinyl)methanol;(3S)-N-[3-[2-(difluoromethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 165099299
azetidin-3-ol;(3S)-N-[3-[2-(3-hydroxyazetidine-1-carbonyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4-[2-methyl-5-[[(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carbonyl]amino]phenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;hydrochloride
CID 167543650
N,N-dimethyl-4-[2-methyl-5-[[(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carbonyl]amino]phenyl]-6-morpholin-4-ylpyridine-2-carboxamide;N-methylmethanamine;4-[2-methyl-5-[[(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carbonyl]amino]phenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;hydrochloride
CID 167573034
(3S)-N-[3-[2-(3-hydroxy-3-methylazetidine-1-carbonyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;3-methylazetidin-3-ol;4-[2-methyl-5-[[(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carbonyl]amino]phenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;hydrochloride
CID 167638363
N-(2-hydroxyethyl)-N-methyl-4-[2-methyl-5-[[(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carbonyl]amino]phenyl]-6-morpholin-4-ylpyridine-2-carboxamide;2-(methylamino)ethanol;4-[2-methyl-5-[[(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carbonyl]amino]phenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid
CID 167694519

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N-(2-hydroxyethyl)-N-methyl-6-morpholin-4-ylpyridine-2-carboxamide;4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;2-(methylamino)ethanol?
The IUPAC name of 4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N-(2-hydroxyethyl)-N-methyl-6-morpholin-4-ylpyridine-2-carboxamide;4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;2-(methylamino)ethanol (CID 164972016) is 4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N-(2-hydroxyethyl)-N-methyl-6-morpholin-4-ylpyridine-2-carboxamide;4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;2-(methylamino)ethanol.
What is the SMILES notation for 4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N-(2-hydroxyethyl)-N-methyl-6-morpholin-4-ylpyridine-2-carboxamide;4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;2-(methylamino)ethanol?
The canonical SMILES for 4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N-(2-hydroxyethyl)-N-methyl-6-morpholin-4-ylpyridine-2-carboxamide;4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;2-(methylamino)ethanol is CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(C(=O)N(C)CCO)nc(N4CCOCC4)c3)c2)C1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(C(=O)O)nc(N4CCOCC4)c3)c2)C1.CNCCO.
What is the InChIKey of 4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N-(2-hydroxyethyl)-N-methyl-6-morpholin-4-ylpyridine-2-carboxamide;4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;2-(methylamino)ethanol?
The InChIKey is DGGRPLISYPAUFE-XHPJQJEWSA-N. The full InChI is InChI=1S/C27H37N5O4.C24H30N4O4.C3H9NO/c1-4-20-7-8-32(18-20)27(35)28-22-6-5-19(2)23(17-22)21-15-24(26(34)30(3)9-12-33)29-25(16-21)31-10-13-36-14-11-31;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;1-4-2-3-5/h5-6,15-17,20,33H,4,7-14,18H2,1-3H3,(H,28,35);4-5,12-14,17H,3,6-11,15H2,1-2H3,(H,25,31)(H,29,30);4-5H,2-3H2,1H3/t20-;17-;/m11./s1.
What are the key properties of 4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N-(2-hydroxyethyl)-N-methyl-6-morpholin-4-ylpyridine-2-carboxamide;4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;2-(methylamino)ethanol?
4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N-(2-hydroxyethyl)-N-methyl-6-morpholin-4-ylpyridine-2-carboxamide;4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;2-(methylamino)ethanol has a molecular weight of 1009.26 g/mol, XLogP of 6.28, 14 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N-(2-hydroxyethyl)-N-methyl-6-morpholin-4-ylpyridine-2-carboxamide;4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;2-(methylamino)ethanol is sourced from PubChem (CID 164972016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).