N-benzyl-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide

C22H24N4O2 — CID 135974811

IUPACN-benzyl-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide
SMILESCc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C22H24N4O2/c1-15(2)26(14-17-7-5-4-6-8-17)20(27)13-19-16(3)24-21(25-22(19)28)18-9-11-23-12-10-18/h4-12,15H,13-14H2,1-3H3,(H,24,25,28)
InChIKeyBFHSMMYGJFCCOW-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.12
Rot. Bonds6

About N-benzyl-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide

N-benzyl-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide (PubChem CID 135974811) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-benzyl-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide
PubChem CID135974811
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-benzyl-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide
SMILESCc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C22H24N4O2/c1-15(2)26(14-17-7-5-4-6-8-17)20(27)13-19-16(3)24-21(25-22(19)28)18-9-11-23-12-10-18/h4-12,15H,13-14H2,1-3H3,(H,24,25,28)
InChIKeyBFHSMMYGJFCCOW-UHFFFAOYSA-N
XLogP3.12
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-benzyl-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide
CID 137099090
N-benzyl-N-propan-2-yl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4825353
5-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-4-methyl-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 137079245
N-(cyclopropylmethyl)-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetamide
CID 135983224
N-benzyl-2-(2-methylphenyl)-N-propan-2-ylacetamide
CID 113098358
N-[(2S)-butan-2-yl]-3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide
CID 136773410
3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)-N-methylsulfonylpropanamide
CID 146154481
1-[2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 137010231
N-benzyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-propan-2-ylacetamide
CID 110700056
N-benzyl-N-propan-2-yl-2-(1H-pyrrol-3-yl)acetamide
CID 110769169
N-[(1R,3R)-3-methylcyclohexyl]-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetamide
CID 136712335
2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)-N-(2-methylpiperidin-3-yl)acetamide
CID 137159316

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide?
The IUPAC name of N-benzyl-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide (CID 135974811) is N-benzyl-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-benzyl-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide?
The canonical SMILES for N-benzyl-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide is Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)N(Cc1ccccc1)C(C)C.
What is the InChIKey of N-benzyl-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide?
The InChIKey is BFHSMMYGJFCCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15(2)26(14-17-7-5-4-6-8-17)20(27)13-19-16(3)24-21(25-22(19)28)18-9-11-23-12-10-18/h4-12,15H,13-14H2,1-3H3,(H,24,25,28).
What are the key properties of N-benzyl-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide?
N-benzyl-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide has a molecular weight of 376.46 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 135974811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).