3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-[(2-phenoxyacetyl)amino]butanamide

C23H30N4O4 — CID 42934862

IUPAC3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-[(2-phenoxyacetyl)amino]butanamide
SMILESCC(C)C(NC(=O)COc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C23H30N4O4/c1-17(2)22(26-21(28)16-31-19-6-4-3-5-7-19)23(29)25-15-18-8-9-20(24-14-18)27-10-12-30-13-11-27/h3-9,14,17,22H,10-13,15-16H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyGIMDHBRSASDICS-UHFFFAOYSA-N
MW426.52 g/mol
LogP1.75
Rot. Bonds9

About 3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-[(2-phenoxyacetyl)amino]butanamide

3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-[(2-phenoxyacetyl)amino]butanamide (PubChem CID 42934862) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is 3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-[(2-phenoxyacetyl)amino]butanamide.

Molecular Properties

Compound Name3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-[(2-phenoxyacetyl)amino]butanamide
PubChem CID42934862
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Name3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-[(2-phenoxyacetyl)amino]butanamide
SMILESCC(C)C(NC(=O)COc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C23H30N4O4/c1-17(2)22(26-21(28)16-31-19-6-4-3-5-7-19)23(29)25-15-18-8-9-20(24-14-18)27-10-12-30-13-11-27/h3-9,14,17,22H,10-13,15-16H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyGIMDHBRSASDICS-UHFFFAOYSA-N
XLogP1.75
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-[(2-phenoxyacetyl)amino]butanamide with MolForge

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Related Compounds

N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenoxypropanamide
CID 18145200
N-[3-methyl-1-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 42932311
2-methoxy-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 47303387
2-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-oxopropanoic acid
CID 114897147
3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenylpentanamide
CID 17489984
N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 55801483
2-benzylsulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 47046949
3-chloro-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 62727165
2-(2-chlorophenoxy)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 46581557
(2S)-2-amino-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119839457
(2S)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 9142893
4-(2-methylpropoxy)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 16602299

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-[(2-phenoxyacetyl)amino]butanamide?
The IUPAC name of 3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-[(2-phenoxyacetyl)amino]butanamide (CID 42934862) is 3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-[(2-phenoxyacetyl)amino]butanamide.
What is the SMILES notation for 3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-[(2-phenoxyacetyl)amino]butanamide?
The canonical SMILES for 3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-[(2-phenoxyacetyl)amino]butanamide is CC(C)C(NC(=O)COc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)nc1.
What is the InChIKey of 3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-[(2-phenoxyacetyl)amino]butanamide?
The InChIKey is GIMDHBRSASDICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-17(2)22(26-21(28)16-31-19-6-4-3-5-7-19)23(29)25-15-18-8-9-20(24-14-18)27-10-12-30-13-11-27/h3-9,14,17,22H,10-13,15-16H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of 3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-[(2-phenoxyacetyl)amino]butanamide?
3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-[(2-phenoxyacetyl)amino]butanamide has a molecular weight of 426.52 g/mol, XLogP of 1.75, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-[(2-phenoxyacetyl)amino]butanamide is sourced from PubChem (CID 42934862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).