3-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide

C22H29N5O3 — CID 56526675

IUPAC3-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCc1ccnc(NC(=O)CN(C)CCC(=O)Nc2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C22H29N5O3/c1-17-7-9-23-20(15-17)25-22(29)16-26(2)10-8-21(28)24-18-3-5-19(6-4-18)27-11-13-30-14-12-27/h3-7,9,15H,8,10-14,16H2,1-2H3,(H,24,28)(H,23,25,29)
InChIKeyRMOURCWDWLAVRX-UHFFFAOYSA-N
MW411.51 g/mol
LogP2.13
Rot. Bonds8

About 3-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide

3-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide (PubChem CID 56526675) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is 3-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
PubChem CID56526675
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC Name3-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCc1ccnc(NC(=O)CN(C)CCC(=O)Nc2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C22H29N5O3/c1-17-7-9-23-20(15-17)25-22(29)16-26(2)10-8-21(28)24-18-3-5-19(6-4-18)27-11-13-30-14-12-27/h3-7,9,15H,8,10-14,16H2,1-2H3,(H,24,28)(H,23,25,29)
InChIKeyRMOURCWDWLAVRX-UHFFFAOYSA-N
XLogP2.13
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 55481956
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
3-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-sulfamoylphenyl)propanamide
CID 55362471
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4818824
2-[(2,5-dimethylphenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592750
3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 36968871
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
CID 8592798
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 8592818
2-[methyl-[2-(4-methylsulfanylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55464363
2-[methyl-(3-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55352514
2-[methyl-[2-(4-methylsulfonylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55464279
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592084

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of 3-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide (CID 56526675) is 3-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for 3-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for 3-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide is Cc1ccnc(NC(=O)CN(C)CCC(=O)Nc2ccc(N3CCOCC3)cc2)c1.
What is the InChIKey of 3-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide?
The InChIKey is RMOURCWDWLAVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-17-7-9-23-20(15-17)25-22(29)16-26(2)10-8-21(28)24-18-3-5-19(6-4-18)27-11-13-30-14-12-27/h3-7,9,15H,8,10-14,16H2,1-2H3,(H,24,28)(H,23,25,29).
What are the key properties of 3-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide?
3-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide has a molecular weight of 411.51 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 56526675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).