N-(3-morpholin-4-ylpropyl)-3-[(6-phenylpyrimidin-4-yl)amino]benzamide

C24H27N5O2 — CID 50783731

IUPACN-(3-morpholin-4-ylpropyl)-3-[(6-phenylpyrimidin-4-yl)amino]benzamide
SMILESO=C(NCCCN1CCOCC1)c1cccc(Nc2cc(-c3ccccc3)ncn2)c1
InChIInChI=1S/C24H27N5O2/c30-24(25-10-5-11-29-12-14-31-15-13-29)20-8-4-9-21(16-20)28-23-17-22(26-18-27-23)19-6-2-1-3-7-19/h1-4,6-9,16-18H,5,10-15H2,(H,25,30)(H,26,27,28)
InChIKeyYGLGDLLJYZSHKO-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.34
Rot. Bonds8

About N-(3-morpholin-4-ylpropyl)-3-[(6-phenylpyrimidin-4-yl)amino]benzamide

N-(3-morpholin-4-ylpropyl)-3-[(6-phenylpyrimidin-4-yl)amino]benzamide (PubChem CID 50783731) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-3-[(6-phenylpyrimidin-4-yl)amino]benzamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-3-[(6-phenylpyrimidin-4-yl)amino]benzamide
PubChem CID50783731
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC NameN-(3-morpholin-4-ylpropyl)-3-[(6-phenylpyrimidin-4-yl)amino]benzamide
SMILESO=C(NCCCN1CCOCC1)c1cccc(Nc2cc(-c3ccccc3)ncn2)c1
InChIInChI=1S/C24H27N5O2/c30-24(25-10-5-11-29-12-14-31-15-13-29)20-8-4-9-21(16-20)28-23-17-22(26-18-27-23)19-6-2-1-3-7-19/h1-4,6-9,16-18H,5,10-15H2,(H,25,30)(H,26,27,28)
InChIKeyYGLGDLLJYZSHKO-UHFFFAOYSA-N
XLogP3.34
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]-N-[2-(4-propylpiperazin-1-yl)ethyl]benzamide
CID 50783692
3-acetamido-N-(3-morpholin-4-ylpropyl)benzamide
CID 51162231
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
[3-[(6-phenylpyrimidin-4-yl)amino]phenyl]-pyrrolidin-1-ylmethanone
CID 50783560
6-[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyridine-3-carboxylic acid
CID 121495695
N-[4-(morpholin-4-ylmethyl)phenyl]-6-phenylpyrimidin-4-amine
CID 108773217
6-(3-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109344662
3-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-(3-methoxypropyl)benzamide
CID 50783694
4-[2-[3-(2-morpholin-4-ylethylcarbamoyl)anilino]-1,3-oxazol-5-yl]benzoic acid
CID 166108164
methyl 3-(3-morpholin-4-ylpropylcarbamoyl)benzoate
CID 108786662
N-[3-(4-benzylpiperazin-1-yl)propyl]-3-(pyrimidin-2-ylamino)benzamide
CID 46416964
N-(3-morpholin-4-ylpropyl)-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
CID 42691502

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-3-[(6-phenylpyrimidin-4-yl)amino]benzamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-3-[(6-phenylpyrimidin-4-yl)amino]benzamide (CID 50783731) is N-(3-morpholin-4-ylpropyl)-3-[(6-phenylpyrimidin-4-yl)amino]benzamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-3-[(6-phenylpyrimidin-4-yl)amino]benzamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-3-[(6-phenylpyrimidin-4-yl)amino]benzamide is O=C(NCCCN1CCOCC1)c1cccc(Nc2cc(-c3ccccc3)ncn2)c1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-3-[(6-phenylpyrimidin-4-yl)amino]benzamide?
The InChIKey is YGLGDLLJYZSHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c30-24(25-10-5-11-29-12-14-31-15-13-29)20-8-4-9-21(16-20)28-23-17-22(26-18-27-23)19-6-2-1-3-7-19/h1-4,6-9,16-18H,5,10-15H2,(H,25,30)(H,26,27,28).
What are the key properties of N-(3-morpholin-4-ylpropyl)-3-[(6-phenylpyrimidin-4-yl)amino]benzamide?
N-(3-morpholin-4-ylpropyl)-3-[(6-phenylpyrimidin-4-yl)amino]benzamide has a molecular weight of 417.51 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-3-[(6-phenylpyrimidin-4-yl)amino]benzamide is sourced from PubChem (CID 50783731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).