N-(2-methylpropyl)-3-[(2-morpholin-4-yl-2-pyridin-3-ylacetyl)amino]benzamide

C22H28N4O3 — CID 131915912

IUPACN-(2-methylpropyl)-3-[(2-morpholin-4-yl-2-pyridin-3-ylacetyl)amino]benzamide
SMILESCC(C)CNC(=O)c1cccc(NC(=O)C(c2cccnc2)N2CCOCC2)c1
InChIInChI=1S/C22H28N4O3/c1-16(2)14-24-21(27)17-5-3-7-19(13-17)25-22(28)20(18-6-4-8-23-15-18)26-9-11-29-12-10-26/h3-8,13,15-16,20H,9-12,14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyFQJMSPXAGHKQTN-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.48
Rot. Bonds7

About N-(2-methylpropyl)-3-[(2-morpholin-4-yl-2-pyridin-3-ylacetyl)amino]benzamide

N-(2-methylpropyl)-3-[(2-morpholin-4-yl-2-pyridin-3-ylacetyl)amino]benzamide (PubChem CID 131915912) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-[(2-morpholin-4-yl-2-pyridin-3-ylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-[(2-morpholin-4-yl-2-pyridin-3-ylacetyl)amino]benzamide
PubChem CID131915912
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-(2-methylpropyl)-3-[(2-morpholin-4-yl-2-pyridin-3-ylacetyl)amino]benzamide
SMILESCC(C)CNC(=O)c1cccc(NC(=O)C(c2cccnc2)N2CCOCC2)c1
InChIInChI=1S/C22H28N4O3/c1-16(2)14-24-21(27)17-5-3-7-19(13-17)25-22(28)20(18-6-4-8-23-15-18)26-9-11-29-12-10-26/h3-8,13,15-16,20H,9-12,14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyFQJMSPXAGHKQTN-UHFFFAOYSA-N
XLogP2.48
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(5-methyltetrazol-1-yl)phenyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 131945875
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 16806482
N-(1,2-diethylbenzimidazol-5-yl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 131901626
N-(2-morpholin-4-yl-2-phenylethyl)-3-(pyrimidin-2-ylamino)benzamide
CID 46578774
N-(2-ethylsulfanylphenyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 131917262
4-bromo-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 112506372
N-[3-(2-methylpropylcarbamoyl)phenyl]pyridazine-4-carboxamide
CID 131898619
N-[2-(dimethylsulfamoyl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 74234487
(2R)-N-[2-(2-fluorophenyl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 97192696
N-[2-(5-methylfuran-2-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 72889150
N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 72936879
N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 72920922

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-[(2-morpholin-4-yl-2-pyridin-3-ylacetyl)amino]benzamide?
The IUPAC name of N-(2-methylpropyl)-3-[(2-morpholin-4-yl-2-pyridin-3-ylacetyl)amino]benzamide (CID 131915912) is N-(2-methylpropyl)-3-[(2-morpholin-4-yl-2-pyridin-3-ylacetyl)amino]benzamide.
What is the SMILES notation for N-(2-methylpropyl)-3-[(2-morpholin-4-yl-2-pyridin-3-ylacetyl)amino]benzamide?
The canonical SMILES for N-(2-methylpropyl)-3-[(2-morpholin-4-yl-2-pyridin-3-ylacetyl)amino]benzamide is CC(C)CNC(=O)c1cccc(NC(=O)C(c2cccnc2)N2CCOCC2)c1.
What is the InChIKey of N-(2-methylpropyl)-3-[(2-morpholin-4-yl-2-pyridin-3-ylacetyl)amino]benzamide?
The InChIKey is FQJMSPXAGHKQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-16(2)14-24-21(27)17-5-3-7-19(13-17)25-22(28)20(18-6-4-8-23-15-18)26-9-11-29-12-10-26/h3-8,13,15-16,20H,9-12,14H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-(2-methylpropyl)-3-[(2-morpholin-4-yl-2-pyridin-3-ylacetyl)amino]benzamide?
N-(2-methylpropyl)-3-[(2-morpholin-4-yl-2-pyridin-3-ylacetyl)amino]benzamide has a molecular weight of 396.49 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-[(2-morpholin-4-yl-2-pyridin-3-ylacetyl)amino]benzamide is sourced from PubChem (CID 131915912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).