2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(6-morpholin-4-yl-3-pyridinyl)acetamide;6-morpholin-4-ylpyridin-3-amine

C46H50N8O5 — CID 158688444

IUPAC2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(6-morpholin-4-yl-3-pyridinyl)acetamide;6-morpholin-4-ylpyridin-3-amine
SMILESCc1cc(-c2ccc(CC(=O)Nc3ccc(N4CCOCC4)nc3)cc2)ccn1.Cc1cc(-c2ccc(CC(=O)O)cc2)ccn1.Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C23H24N4O2.C14H13NO2.C9H13N3O/c1-17-14-20(8-9-24-17)19-4-2-18(3-5-19)15-23(28)26-21-6-7-22(25-16-21)27-10-12-29-13-11-27;1-10-8-13(6-7-15-10)12-4-2-11(3-5-12)9-14(16)17;10-8-1-2-9(11-7-8)12-3-5-13-6-4-12/h2-9,14,16H,10-13,15H2,1H3,(H,26,28);2-8H,9H2,1H3,(H,16,17);1-2,7H,3-6,10H2
InChIKeyIGAQVECLOMFAJI-UHFFFAOYSA-N
MW794.96 g/mol
LogP6.65
Rot. Bonds9

About 2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(6-morpholin-4-yl-3-pyridinyl)acetamide;6-morpholin-4-ylpyridin-3-amine

2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(6-morpholin-4-yl-3-pyridinyl)acetamide;6-morpholin-4-ylpyridin-3-amine (PubChem CID 158688444) has the molecular formula C46H50N8O5 and a molecular weight of 794.96 g/mol. Its IUPAC name is 2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(6-morpholin-4-yl-3-pyridinyl)acetamide;6-morpholin-4-ylpyridin-3-amine.

Molecular Properties

Compound Name2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(6-morpholin-4-yl-3-pyridinyl)acetamide;6-morpholin-4-ylpyridin-3-amine
PubChem CID158688444
Molecular FormulaC46H50N8O5
Molecular Weight794.96 g/mol
Exact Mass794.39
IUPAC Name2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(6-morpholin-4-yl-3-pyridinyl)acetamide;6-morpholin-4-ylpyridin-3-amine
SMILESCc1cc(-c2ccc(CC(=O)Nc3ccc(N4CCOCC4)nc3)cc2)ccn1.Cc1cc(-c2ccc(CC(=O)O)cc2)ccn1.Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C23H24N4O2.C14H13NO2.C9H13N3O/c1-17-14-20(8-9-24-17)19-4-2-18(3-5-19)15-23(28)26-21-6-7-22(25-16-21)27-10-12-29-13-11-27;1-10-8-13(6-7-15-10)12-4-2-11(3-5-12)9-14(16)17;10-8-1-2-9(11-7-8)12-3-5-13-6-4-12/h2-9,14,16H,10-13,15H2,1H3,(H,26,28);2-8H,9H2,1H3,(H,16,17);1-2,7H,3-6,10H2
InChIKeyIGAQVECLOMFAJI-UHFFFAOYSA-N
XLogP6.65
TPSA168.92 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500794.96
LogP ≤ 56.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(6-morpholin-4-yl-3-pyridinyl)acetamide;6-morpholin-4-ylpyridin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

[(3R)-1-[2-oxo-2-(pyridin-2-ylamino)ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] (2S)-2-phenyl-2-piperidin-1-ylpropanoate
CID 57401219
4-[[2-(2-Piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]carbamoyl]benzoic acid
CID 66836430
2-Morpholin-4-ylethyl 4-[1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]-1-hydroxyethyl]cyclohexane-1-carboxylate
CID 70982959
Methyl 4-(6-(2-(4-(2-methylpyridin-4-yl)phenyl)acetamido)pyridin-3-yl)piperazine-1-carboxylate
CID 58447725
N-[5-(2,6-dimorpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide
CID 117610075
US10251893, Cpd 151
CID 46926733
US10251893, Cpd 58
CID 58447729
2-(4-(2-methylpyridin-4-yl)phenyl)-N-(6-morpholinopyridin-3-yl)acetamide
CID 58447751
2-[4-[4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenyl]propanoic acid
CID 58877220
[2-(Dimethylamino)-2-oxoethyl] 4-[1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]-2-hydroxyethyl]cyclohexane-1-carboxylate
CID 70983631
(4-methylmorpholin-4-ium-4-yl)methyl 4-[(1R)-1-[5-[6-[[4-(difluoromethyl)pyridin-2-yl]amino]-4-methylpyridin-2-yl]pyridin-2-yl]-1-hydroxyethyl]cyclohexane-1-carboxylate
CID 75203560
6-[(2R,4S)-4-[[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-ylpyridin-2-yl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carbonyl]oxyhexanoic acid
CID 87546648

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(6-morpholin-4-yl-3-pyridinyl)acetamide;6-morpholin-4-ylpyridin-3-amine?
The IUPAC name of 2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(6-morpholin-4-yl-3-pyridinyl)acetamide;6-morpholin-4-ylpyridin-3-amine (CID 158688444) is 2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(6-morpholin-4-yl-3-pyridinyl)acetamide;6-morpholin-4-ylpyridin-3-amine.
What is the SMILES notation for 2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(6-morpholin-4-yl-3-pyridinyl)acetamide;6-morpholin-4-ylpyridin-3-amine?
The canonical SMILES for 2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(6-morpholin-4-yl-3-pyridinyl)acetamide;6-morpholin-4-ylpyridin-3-amine is Cc1cc(-c2ccc(CC(=O)Nc3ccc(N4CCOCC4)nc3)cc2)ccn1.Cc1cc(-c2ccc(CC(=O)O)cc2)ccn1.Nc1ccc(N2CCOCC2)nc1.
What is the InChIKey of 2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(6-morpholin-4-yl-3-pyridinyl)acetamide;6-morpholin-4-ylpyridin-3-amine?
The InChIKey is IGAQVECLOMFAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2.C14H13NO2.C9H13N3O/c1-17-14-20(8-9-24-17)19-4-2-18(3-5-19)15-23(28)26-21-6-7-22(25-16-21)27-10-12-29-13-11-27;1-10-8-13(6-7-15-10)12-4-2-11(3-5-12)9-14(16)17;10-8-1-2-9(11-7-8)12-3-5-13-6-4-12/h2-9,14,16H,10-13,15H2,1H3,(H,26,28);2-8H,9H2,1H3,(H,16,17);1-2,7H,3-6,10H2.
What are the key properties of 2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(6-morpholin-4-yl-3-pyridinyl)acetamide;6-morpholin-4-ylpyridin-3-amine?
2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(6-morpholin-4-yl-3-pyridinyl)acetamide;6-morpholin-4-ylpyridin-3-amine has a molecular weight of 794.96 g/mol, XLogP of 6.65, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methyl-4-pyridinyl)phenyl]acetic acid;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(6-morpholin-4-yl-3-pyridinyl)acetamide;6-morpholin-4-ylpyridin-3-amine is sourced from PubChem (CID 158688444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).