N-[2-methyl-1-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)propyl]-3-phenylpropanamide

C22H24N4O2 — CID 136858596

IUPACN-[2-methyl-1-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)propyl]-3-phenylpropanamide
SMILESCC(C)C(NC(=O)CCc1ccccc1)c1cc(=O)[nH]c(-c2ccncc2)n1
InChIInChI=1S/C22H24N4O2/c1-15(2)21(25-19(27)9-8-16-6-4-3-5-7-16)18-14-20(28)26-22(24-18)17-10-12-23-13-11-17/h3-7,10-15,21H,8-9H2,1-2H3,(H,25,27)(H,24,26,28)
InChIKeyBIQVIRNECSBPCH-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.28
Rot. Bonds7

About N-[2-methyl-1-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)propyl]-3-phenylpropanamide

N-[2-methyl-1-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)propyl]-3-phenylpropanamide (PubChem CID 136858596) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[2-methyl-1-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)propyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-methyl-1-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)propyl]-3-phenylpropanamide
PubChem CID136858596
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[2-methyl-1-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)propyl]-3-phenylpropanamide
SMILESCC(C)C(NC(=O)CCc1ccccc1)c1cc(=O)[nH]c(-c2ccncc2)n1
InChIInChI=1S/C22H24N4O2/c1-15(2)21(25-19(27)9-8-16-6-4-3-5-7-16)18-14-20(28)26-22(24-18)17-10-12-23-13-11-17/h3-7,10-15,21H,8-9H2,1-2H3,(H,25,27)(H,24,26,28)
InChIKeyBIQVIRNECSBPCH-UHFFFAOYSA-N
XLogP3.28
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)propyl]acetamide
CID 136891124
N-methyl-3-phenyl-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 166581426
N-[(1R)-1-[6-(dimethylamino)-2-pyridin-4-ylpyrimidin-4-yl]-2-methylpropyl]-2-pyridin-3-ylacetamide
CID 92578754
2-(4-methoxyphenyl)-N-[(1R)-1-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)ethyl]acetamide
CID 135963448
4-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide
CID 7346867
3-(2-fluorophenyl)-N-[(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)methyl]propanamide
CID 135963159
N-[(2S)-butan-2-yl]-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide
CID 136773410
4-[1-[4-(2-methylpropyl)phenyl]-2-phenylethyl]-2-phenyl-1H-pyrimidin-6-one
CID 135484630
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3-phenylpropanamide
CID 17297236
3-hydroxy-2-(3-pyridin-4-ylpropanoylamino)butanoic acid
CID 113269883
3-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 113246893
N-[(1R)-1-(4-hydroxyphenyl)-2-methylpropyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 136982554

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)propyl]-3-phenylpropanamide?
The IUPAC name of N-[2-methyl-1-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)propyl]-3-phenylpropanamide (CID 136858596) is N-[2-methyl-1-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)propyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-methyl-1-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)propyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-methyl-1-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)propyl]-3-phenylpropanamide is CC(C)C(NC(=O)CCc1ccccc1)c1cc(=O)[nH]c(-c2ccncc2)n1.
What is the InChIKey of N-[2-methyl-1-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)propyl]-3-phenylpropanamide?
The InChIKey is BIQVIRNECSBPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15(2)21(25-19(27)9-8-16-6-4-3-5-7-16)18-14-20(28)26-22(24-18)17-10-12-23-13-11-17/h3-7,10-15,21H,8-9H2,1-2H3,(H,25,27)(H,24,26,28).
What are the key properties of N-[2-methyl-1-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)propyl]-3-phenylpropanamide?
N-[2-methyl-1-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)propyl]-3-phenylpropanamide has a molecular weight of 376.46 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)propyl]-3-phenylpropanamide is sourced from PubChem (CID 136858596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).