(2R)-2-(2-methylpyridin-1-ium-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide

C19H24N3O2+ — CID 8717770

IUPAC(2R)-2-(2-methylpyridin-1-ium-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCc1cccc[n+]1[C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H23N3O2/c1-15-5-3-4-10-22(15)16(2)19(23)20-17-6-8-18(9-7-17)21-11-13-24-14-12-21/h3-10,16H,11-14H2,1-2H3/p+1/t16-/m1/s1
InChIKeyBQRICVQCVHESPL-MRXNPFEDSA-O
MW326.42 g/mol
LogP2.32
Rot. Bonds4

About (2R)-2-(2-methylpyridin-1-ium-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide

(2R)-2-(2-methylpyridin-1-ium-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide (PubChem CID 8717770) has the molecular formula C19H24N3O2+ and a molecular weight of 326.42 g/mol. Its IUPAC name is (2R)-2-(2-methylpyridin-1-ium-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2-methylpyridin-1-ium-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide
PubChem CID8717770
Molecular FormulaC19H24N3O2+
Molecular Weight326.42 g/mol
Exact Mass326.19
IUPAC Name(2R)-2-(2-methylpyridin-1-ium-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCc1cccc[n+]1[C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H23N3O2/c1-15-5-3-4-10-22(15)16(2)19(23)20-17-6-8-18(9-7-17)21-11-13-24-14-12-21/h3-10,16H,11-14H2,1-2H3/p+1/t16-/m1/s1
InChIKeyBQRICVQCVHESPL-MRXNPFEDSA-O
XLogP2.32
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylpyridin-1-ium-1-yl)propanamide
CID 8717715
2-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 60638930
(2R)-2-(3-acetylpyridin-1-ium-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide
CID 8830923
2-[1-(2-chlorophenyl)ethylamino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 51168773
(2S)-N-(4-morpholin-4-ylphenyl)-2-(4-phenylanilino)propanamide
CID 7509574
(2R)-N-(4-morpholin-4-ylphenyl)-2-phenylsulfanylpropanamide
CID 2079704
(2R)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide
CID 8725307
[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-chlorobenzoate
CID 55318916
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 51168347
(2R)-2-acetamido-3-methyl-N-(4-morpholin-4-ylphenyl)butanamide
CID 41236080
1-(4-morpholin-4-ylphenyl)-3-propan-2-ylurea
CID 47173524
(2S,3S)-2-amino-3-methyl-N-(4-morpholin-4-ylphenyl)pentanamide
CID 58441866

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylpyridin-1-ium-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of (2R)-2-(2-methylpyridin-1-ium-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide (CID 8717770) is (2R)-2-(2-methylpyridin-1-ium-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(2-methylpyridin-1-ium-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for (2R)-2-(2-methylpyridin-1-ium-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide is Cc1cccc[n+]1[C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of (2R)-2-(2-methylpyridin-1-ium-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide?
The InChIKey is BQRICVQCVHESPL-MRXNPFEDSA-O. The full InChI is InChI=1S/C19H23N3O2/c1-15-5-3-4-10-22(15)16(2)19(23)20-17-6-8-18(9-7-17)21-11-13-24-14-12-21/h3-10,16H,11-14H2,1-2H3/p+1/t16-/m1/s1.
What are the key properties of (2R)-2-(2-methylpyridin-1-ium-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide?
(2R)-2-(2-methylpyridin-1-ium-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide has a molecular weight of 326.42 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylpyridin-1-ium-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 8717770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).