4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N,N-dimethyl-6-morpholin-4-ylpyridine-2-carboxamide

C26H35N5O3 — CID 164970643

IUPAC4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N,N-dimethyl-6-morpholin-4-ylpyridine-2-carboxamide
SMILESCC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(C(=O)N(C)C)nc(N4CCOCC4)c3)c2)C1
InChIInChI=1S/C26H35N5O3/c1-5-19-8-9-31(17-19)26(33)27-21-7-6-18(2)22(16-21)20-14-23(25(32)29(3)4)28-24(15-20)30-10-12-34-13-11-30/h6-7,14-16,19H,5,8-13,17H2,1-4H3,(H,27,33)/t19-/m1/s1
InChIKeyDBRMWDIAELYPQS-LJQANCHMSA-N
MW465.60 g/mol
LogP3.86
Rot. Bonds5

About 4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N,N-dimethyl-6-morpholin-4-ylpyridine-2-carboxamide

4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N,N-dimethyl-6-morpholin-4-ylpyridine-2-carboxamide (PubChem CID 164970643) has the molecular formula C26H35N5O3 and a molecular weight of 465.60 g/mol. Its IUPAC name is 4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N,N-dimethyl-6-morpholin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N,N-dimethyl-6-morpholin-4-ylpyridine-2-carboxamide
PubChem CID164970643
Molecular FormulaC26H35N5O3
Molecular Weight465.60 g/mol
Exact Mass465.27
IUPAC Name4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N,N-dimethyl-6-morpholin-4-ylpyridine-2-carboxamide
SMILESCC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(C(=O)N(C)C)nc(N4CCOCC4)c3)c2)C1
InChIInChI=1S/C26H35N5O3/c1-5-19-8-9-31(17-19)26(33)27-21-7-6-18(2)22(16-21)20-14-23(25(32)29(3)4)28-24(15-20)30-10-12-34-13-11-30/h6-7,14-16,19H,5,8-13,17H2,1-4H3,(H,27,33)/t19-/m1/s1
InChIKeyDBRMWDIAELYPQS-LJQANCHMSA-N
XLogP3.86
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N,N-dimethyl-6-morpholin-4-ylpyridine-2-carboxamide with MolForge

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Related Compounds

(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)-3-ethyl-N-[3-[2-(1-ethylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide
CID 164983361
(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-(tert-butylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 162468212
(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-(3-hydroxy-3-methylbut-1-ynyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 164709641
(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-[3-[2-(2-hydroxypropylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 166758628
(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

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N,N-dimethyl-6-morpholin-4-ylpyridine-2-carboxamide?
The IUPAC name of 4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N,N-dimethyl-6-morpholin-4-ylpyridine-2-carboxamide (CID 164970643) is 4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N,N-dimethyl-6-morpholin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for 4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N,N-dimethyl-6-morpholin-4-ylpyridine-2-carboxamide?
The canonical SMILES for 4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N,N-dimethyl-6-morpholin-4-ylpyridine-2-carboxamide is CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(C(=O)N(C)C)nc(N4CCOCC4)c3)c2)C1.
What is the InChIKey of 4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N,N-dimethyl-6-morpholin-4-ylpyridine-2-carboxamide?
The InChIKey is DBRMWDIAELYPQS-LJQANCHMSA-N. The full InChI is InChI=1S/C26H35N5O3/c1-5-19-8-9-31(17-19)26(33)27-21-7-6-18(2)22(16-21)20-14-23(25(32)29(3)4)28-24(15-20)30-10-12-34-13-11-30/h6-7,14-16,19H,5,8-13,17H2,1-4H3,(H,27,33)/t19-/m1/s1.
What are the key properties of 4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N,N-dimethyl-6-morpholin-4-ylpyridine-2-carboxamide?
4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N,N-dimethyl-6-morpholin-4-ylpyridine-2-carboxamide has a molecular weight of 465.60 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[(3R)-3-ethylpyrrolidine-1-carbonyl]amino]-2-methylphenyl]-N,N-dimethyl-6-morpholin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 164970643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).