N-(4-tert-butylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide

C19H20N4O2 — CID 18165506

IUPACN-(4-tert-butylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
SMILESCC(C)(C)c1ccc(NC(=O)Cn2cnc3ncccc3c2=O)cc1
InChIInChI=1S/C19H20N4O2/c1-19(2,3)13-6-8-14(9-7-13)22-16(24)11-23-12-21-17-15(18(23)25)5-4-10-20-17/h4-10,12H,11H2,1-3H3,(H,22,24)
InChIKeyLJDCRCQXANZCNQ-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.73
Rot. Bonds3

About N-(4-tert-butylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide

N-(4-tert-butylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 18165506) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID18165506
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-(4-tert-butylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
SMILESCC(C)(C)c1ccc(NC(=O)Cn2cnc3ncccc3c2=O)cc1
InChIInChI=1S/C19H20N4O2/c1-19(2,3)13-6-8-14(9-7-13)22-16(24)11-23-12-21-17-15(18(23)25)5-4-10-20-17/h4-10,12H,11H2,1-3H3,(H,22,24)
InChIKeyLJDCRCQXANZCNQ-UHFFFAOYSA-N
XLogP2.73
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18165534
N-(3-chlorophenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18165532
N-(2-methylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18165508
N-(4-tert-butylphenyl)-2-(1-oxoisoquinolin-2-yl)acetamide
CID 2095659
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18147630
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 22108544
2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trichlorophenyl)acetamide
CID 18165522
2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 18165536
N-(2-bromo-4-methylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18165544
N-(4-tert-butylphenyl)-4-(4-oxoquinazolin-3-yl)butanamide
CID 34756761
N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 988636
3-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
CID 33026865

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide (CID 18165506) is N-(4-tert-butylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide is CC(C)(C)c1ccc(NC(=O)Cn2cnc3ncccc3c2=O)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is LJDCRCQXANZCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-19(2,3)13-6-8-14(9-7-13)22-16(24)11-23-12-21-17-15(18(23)25)5-4-10-20-17/h4-10,12H,11H2,1-3H3,(H,22,24).
What are the key properties of N-(4-tert-butylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide?
N-(4-tert-butylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 336.40 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 18165506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).