(2R)-N-(2-chloro-3-pyridinyl)-2-(2-methyl-4-morpholin-4-ylanilino)propanamide

C19H23ClN4O2 — CID 94114535

IUPAC(2R)-N-(2-chloro-3-pyridinyl)-2-(2-methyl-4-morpholin-4-ylanilino)propanamide
SMILESCc1cc(N2CCOCC2)ccc1N[C@H](C)C(=O)Nc1cccnc1Cl
InChIInChI=1S/C19H23ClN4O2/c1-13-12-15(24-8-10-26-11-9-24)5-6-16(13)22-14(2)19(25)23-17-4-3-7-21-18(17)20/h3-7,12,14,22H,8-11H2,1-2H3,(H,23,25)/t14-/m1/s1
InChIKeyCEBJSOWWRSUDOP-CQSZACIVSA-N
MW374.87 g/mol
LogP3.32
Rot. Bonds5

About (2R)-N-(2-chloro-3-pyridinyl)-2-(2-methyl-4-morpholin-4-ylanilino)propanamide

(2R)-N-(2-chloro-3-pyridinyl)-2-(2-methyl-4-morpholin-4-ylanilino)propanamide (PubChem CID 94114535) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is (2R)-N-(2-chloro-3-pyridinyl)-2-(2-methyl-4-morpholin-4-ylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-(2-chloro-3-pyridinyl)-2-(2-methyl-4-morpholin-4-ylanilino)propanamide
PubChem CID94114535
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name(2R)-N-(2-chloro-3-pyridinyl)-2-(2-methyl-4-morpholin-4-ylanilino)propanamide
SMILESCc1cc(N2CCOCC2)ccc1N[C@H](C)C(=O)Nc1cccnc1Cl
InChIInChI=1S/C19H23ClN4O2/c1-13-12-15(24-8-10-26-11-9-24)5-6-16(13)22-14(2)19(25)23-17-4-3-7-21-18(17)20/h3-7,12,14,22H,8-11H2,1-2H3,(H,23,25)/t14-/m1/s1
InChIKeyCEBJSOWWRSUDOP-CQSZACIVSA-N
XLogP3.32
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2R)-N-(2-chloro-3-pyridinyl)-2-(2-methyl-4-morpholin-4-ylanilino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(2-methyl-4-morpholin-4-ylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 34499731
(2R)-2-(2-methyl-4-morpholin-4-ylanilino)-1-morpholin-4-ylpropan-1-one
CID 94114537
ethyl (2S)-2-(2-methyl-4-morpholin-4-ylanilino)propanoate
CID 141056523
2-(2-methyl-4-morpholin-4-ylanilino)-N-(3-sulfamoylphenyl)propanamide
CID 55629768
2-[4-(4-ethylpiperazin-1-yl)-2-methylanilino]-N-naphthalen-1-ylpropanamide
CID 55572493
1-tert-butyl-3-(2-methyl-4-morpholin-4-ylphenyl)urea
CID 78896475
N-(2-chloro-3-pyridinyl)-2-(3-iodoanilino)propanamide
CID 78818879
N-(2,5-dichlorophenyl)-2-(3-morpholin-4-ylanilino)propanamide
CID 87033300
N-(2-chloro-3-pyridinyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propanamide
CID 55494146
N-(2-methyl-4-morpholin-4-ylphenyl)thiophene-3-carboxamide
CID 39267225
N-[(2R)-1-(2,4-dimorpholin-4-ylanilino)-1-oxopropan-2-yl]-3-methylbenzamide
CID 41080718
(2S)-2-(azepan-1-yl)-N-(2-chloro-3-pyridinyl)propanamide
CID 9249896

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-chloro-3-pyridinyl)-2-(2-methyl-4-morpholin-4-ylanilino)propanamide?
The IUPAC name of (2R)-N-(2-chloro-3-pyridinyl)-2-(2-methyl-4-morpholin-4-ylanilino)propanamide (CID 94114535) is (2R)-N-(2-chloro-3-pyridinyl)-2-(2-methyl-4-morpholin-4-ylanilino)propanamide.
What is the SMILES notation for (2R)-N-(2-chloro-3-pyridinyl)-2-(2-methyl-4-morpholin-4-ylanilino)propanamide?
The canonical SMILES for (2R)-N-(2-chloro-3-pyridinyl)-2-(2-methyl-4-morpholin-4-ylanilino)propanamide is Cc1cc(N2CCOCC2)ccc1N[C@H](C)C(=O)Nc1cccnc1Cl.
What is the InChIKey of (2R)-N-(2-chloro-3-pyridinyl)-2-(2-methyl-4-morpholin-4-ylanilino)propanamide?
The InChIKey is CEBJSOWWRSUDOP-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-13-12-15(24-8-10-26-11-9-24)5-6-16(13)22-14(2)19(25)23-17-4-3-7-21-18(17)20/h3-7,12,14,22H,8-11H2,1-2H3,(H,23,25)/t14-/m1/s1.
What are the key properties of (2R)-N-(2-chloro-3-pyridinyl)-2-(2-methyl-4-morpholin-4-ylanilino)propanamide?
(2R)-N-(2-chloro-3-pyridinyl)-2-(2-methyl-4-morpholin-4-ylanilino)propanamide has a molecular weight of 374.87 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-chloro-3-pyridinyl)-2-(2-methyl-4-morpholin-4-ylanilino)propanamide is sourced from PubChem (CID 94114535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).