4-oxo-4-phenyl-N-[(6-phenylpyrimidin-4-yl)methyl]butanamide

C21H19N3O2 — CID 122261913

IUPAC4-oxo-4-phenyl-N-[(6-phenylpyrimidin-4-yl)methyl]butanamide
SMILESO=C(CCC(=O)c1ccccc1)NCc1cc(-c2ccccc2)ncn1
InChIInChI=1S/C21H19N3O2/c25-20(17-9-5-2-6-10-17)11-12-21(26)22-14-18-13-19(24-15-23-18)16-7-3-1-4-8-16/h1-10,13,15H,11-12,14H2,(H,22,26)
InChIKeyRNQXINQHLWGEFS-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.42
Rot. Bonds7

About 4-oxo-4-phenyl-N-[(6-phenylpyrimidin-4-yl)methyl]butanamide

4-oxo-4-phenyl-N-[(6-phenylpyrimidin-4-yl)methyl]butanamide (PubChem CID 122261913) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-oxo-4-phenyl-N-[(6-phenylpyrimidin-4-yl)methyl]butanamide.

Molecular Properties

Compound Name4-oxo-4-phenyl-N-[(6-phenylpyrimidin-4-yl)methyl]butanamide
PubChem CID122261913
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name4-oxo-4-phenyl-N-[(6-phenylpyrimidin-4-yl)methyl]butanamide
SMILESO=C(CCC(=O)c1ccccc1)NCc1cc(-c2ccccc2)ncn1
InChIInChI=1S/C21H19N3O2/c25-20(17-9-5-2-6-10-17)11-12-21(26)22-14-18-13-19(24-15-23-18)16-7-3-1-4-8-16/h1-10,13,15H,11-12,14H2,(H,22,26)
InChIKeyRNQXINQHLWGEFS-UHFFFAOYSA-N
XLogP3.42
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzoyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
CID 122261778
2-benzylsulfanyl-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261968
3,5-dichloro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
CID 122261935
2-(2,4-difluorophenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122262058
2-(2-fluorophenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261805
2-(4-methoxyphenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261746
N-[(6-phenylpyrimidin-4-yl)methyl]pyridine-2-carboxamide
CID 122261812
N-[(6-phenylpyrimidin-4-yl)methyl]cyclopentanecarboxamide
CID 122261740
2,6-difluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
CID 122261961
4-oxo-4-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butanamide
CID 108738568
6-ethoxy-N-[(6-phenylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
CID 122262059
2-(2-methoxy-4-methylphenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261876

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-phenyl-N-[(6-phenylpyrimidin-4-yl)methyl]butanamide?
The IUPAC name of 4-oxo-4-phenyl-N-[(6-phenylpyrimidin-4-yl)methyl]butanamide (CID 122261913) is 4-oxo-4-phenyl-N-[(6-phenylpyrimidin-4-yl)methyl]butanamide.
What is the SMILES notation for 4-oxo-4-phenyl-N-[(6-phenylpyrimidin-4-yl)methyl]butanamide?
The canonical SMILES for 4-oxo-4-phenyl-N-[(6-phenylpyrimidin-4-yl)methyl]butanamide is O=C(CCC(=O)c1ccccc1)NCc1cc(-c2ccccc2)ncn1.
What is the InChIKey of 4-oxo-4-phenyl-N-[(6-phenylpyrimidin-4-yl)methyl]butanamide?
The InChIKey is RNQXINQHLWGEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c25-20(17-9-5-2-6-10-17)11-12-21(26)22-14-18-13-19(24-15-23-18)16-7-3-1-4-8-16/h1-10,13,15H,11-12,14H2,(H,22,26).
What are the key properties of 4-oxo-4-phenyl-N-[(6-phenylpyrimidin-4-yl)methyl]butanamide?
4-oxo-4-phenyl-N-[(6-phenylpyrimidin-4-yl)methyl]butanamide has a molecular weight of 345.40 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-phenyl-N-[(6-phenylpyrimidin-4-yl)methyl]butanamide is sourced from PubChem (CID 122261913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).