N-phenyl-3-[(5-phenylpyrimidin-2-yl)amino]butanamide

C20H20N4O — CID 166392477

IUPACN-phenyl-3-[(5-phenylpyrimidin-2-yl)amino]butanamide
SMILESCC(CC(=O)Nc1ccccc1)Nc1ncc(-c2ccccc2)cn1
InChIInChI=1S/C20H20N4O/c1-15(12-19(25)24-18-10-6-3-7-11-18)23-20-21-13-17(14-22-20)16-8-4-2-5-9-16/h2-11,13-15H,12H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyCBZFRJILUWULMF-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.97
Rot. Bonds6

About N-phenyl-3-[(5-phenylpyrimidin-2-yl)amino]butanamide

N-phenyl-3-[(5-phenylpyrimidin-2-yl)amino]butanamide (PubChem CID 166392477) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-phenyl-3-[(5-phenylpyrimidin-2-yl)amino]butanamide.

Molecular Properties

Compound NameN-phenyl-3-[(5-phenylpyrimidin-2-yl)amino]butanamide
PubChem CID166392477
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-phenyl-3-[(5-phenylpyrimidin-2-yl)amino]butanamide
SMILESCC(CC(=O)Nc1ccccc1)Nc1ncc(-c2ccccc2)cn1
InChIInChI=1S/C20H20N4O/c1-15(12-19(25)24-18-10-6-3-7-11-18)23-20-21-13-17(14-22-20)16-8-4-2-5-9-16/h2-11,13-15H,12H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyCBZFRJILUWULMF-UHFFFAOYSA-N
XLogP3.97
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(4-phenylphenyl)butanamide
CID 60835996
2-[(4-anilino-4-oxobutan-2-yl)amino]propanoic acid
CID 114244259
(3S)-3-phenyl-N-(4-phenylphenyl)butanamide
CID 7925945
(3R)-3-chloro-N-phenylbutanamide
CID 94188827
(3S)-3,4-dimethyl-N-phenylpentanamide
CID 102017324
3-(cyclopentylamino)-N-phenylbutanamide
CID 113218911
(3R)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylbutanamide
CID 97018627
3-(2,2-difluoroethylamino)-N-phenylbutanamide
CID 114244264
3-[(5-methyl-1,3-thiazol-2-yl)methylamino]-N-phenylbutanamide
CID 75424353
4,4,4-trichloro-3-hydroxy-N-phenylbutanamide
CID 5000265
3-(2-methylbutylamino)-N-phenylbutanamide
CID 114244260
(3S)-N-phenyl-3-(2-phenylethylamino)butanamide
CID 97019379

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-[(5-phenylpyrimidin-2-yl)amino]butanamide?
The IUPAC name of N-phenyl-3-[(5-phenylpyrimidin-2-yl)amino]butanamide (CID 166392477) is N-phenyl-3-[(5-phenylpyrimidin-2-yl)amino]butanamide.
What is the SMILES notation for N-phenyl-3-[(5-phenylpyrimidin-2-yl)amino]butanamide?
The canonical SMILES for N-phenyl-3-[(5-phenylpyrimidin-2-yl)amino]butanamide is CC(CC(=O)Nc1ccccc1)Nc1ncc(-c2ccccc2)cn1.
What is the InChIKey of N-phenyl-3-[(5-phenylpyrimidin-2-yl)amino]butanamide?
The InChIKey is CBZFRJILUWULMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-15(12-19(25)24-18-10-6-3-7-11-18)23-20-21-13-17(14-22-20)16-8-4-2-5-9-16/h2-11,13-15H,12H2,1H3,(H,24,25)(H,21,22,23).
What are the key properties of N-phenyl-3-[(5-phenylpyrimidin-2-yl)amino]butanamide?
N-phenyl-3-[(5-phenylpyrimidin-2-yl)amino]butanamide has a molecular weight of 332.41 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-[(5-phenylpyrimidin-2-yl)amino]butanamide is sourced from PubChem (CID 166392477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).