2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2-methylphenyl)-pyridin-4-ylmethyl]acetamide

C20H20N4O3 — CID 77095713

IUPAC2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2-methylphenyl)-pyridin-4-ylmethyl]acetamide
SMILESCc1ccccc1C(NC(=O)Cn1cc(C)c(=O)[nH]c1=O)c1ccncc1
InChIInChI=1S/C20H20N4O3/c1-13-5-3-4-6-16(13)18(15-7-9-21-10-8-15)22-17(25)12-24-11-14(2)19(26)23-20(24)27/h3-11,18H,12H2,1-2H3,(H,22,25)(H,23,26,27)
InChIKeyPEGYAFGJQCNOCA-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.45
Rot. Bonds5

About 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2-methylphenyl)-pyridin-4-ylmethyl]acetamide

2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2-methylphenyl)-pyridin-4-ylmethyl]acetamide (PubChem CID 77095713) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2-methylphenyl)-pyridin-4-ylmethyl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2-methylphenyl)-pyridin-4-ylmethyl]acetamide
PubChem CID77095713
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2-methylphenyl)-pyridin-4-ylmethyl]acetamide
SMILESCc1ccccc1C(NC(=O)Cn1cc(C)c(=O)[nH]c1=O)c1ccncc1
InChIInChI=1S/C20H20N4O3/c1-13-5-3-4-6-16(13)18(15-7-9-21-10-8-15)22-17(25)12-24-11-14(2)19(26)23-20(24)27/h3-11,18H,12H2,1-2H3,(H,22,25)(H,23,26,27)
InChIKeyPEGYAFGJQCNOCA-UHFFFAOYSA-N
XLogP1.45
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(1R)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 99931132
N-[(S)-(2-methylphenyl)-phenylmethyl]-2-pyridin-4-ylacetamide
CID 95228803
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-methylphenyl)acetamide
CID 35177235
N-[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 102461846
(2S)-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-3-phenylpropanoic acid
CID 90182093
2-[carbamoyl(methyl)amino]-N-[(S)-(2-methylphenyl)-pyridin-4-ylmethyl]acetamide
CID 126423419
N-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 118789936
N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 125176787
3-methoxy-2,2-dimethyl-N-[(2-methylphenyl)-pyridin-4-ylmethyl]propanamide
CID 118784920
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 45280797
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]acetamide
CID 56751374
N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-3-(2-oxoazepan-1-yl)propanamide
CID 125165780

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2-methylphenyl)-pyridin-4-ylmethyl]acetamide?
The IUPAC name of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2-methylphenyl)-pyridin-4-ylmethyl]acetamide (CID 77095713) is 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2-methylphenyl)-pyridin-4-ylmethyl]acetamide.
What is the SMILES notation for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2-methylphenyl)-pyridin-4-ylmethyl]acetamide?
The canonical SMILES for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2-methylphenyl)-pyridin-4-ylmethyl]acetamide is Cc1ccccc1C(NC(=O)Cn1cc(C)c(=O)[nH]c1=O)c1ccncc1.
What is the InChIKey of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2-methylphenyl)-pyridin-4-ylmethyl]acetamide?
The InChIKey is PEGYAFGJQCNOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-13-5-3-4-6-16(13)18(15-7-9-21-10-8-15)22-17(25)12-24-11-14(2)19(26)23-20(24)27/h3-11,18H,12H2,1-2H3,(H,22,25)(H,23,26,27).
What are the key properties of 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2-methylphenyl)-pyridin-4-ylmethyl]acetamide?
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2-methylphenyl)-pyridin-4-ylmethyl]acetamide has a molecular weight of 364.41 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2-methylphenyl)-pyridin-4-ylmethyl]acetamide is sourced from PubChem (CID 77095713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).