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

C19H20N4O2 — CID 18147602

IUPAC2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)Cn1cnc2ncccc2c1=O
InChIInChI=1S/C19H20N4O2/c1-14(9-10-15-6-3-2-4-7-15)22-17(24)12-23-13-21-18-16(19(23)25)8-5-11-20-18/h2-8,11,13-14H,9-10,12H2,1H3,(H,22,24)
InChIKeyYJKDBXMNOIHJSQ-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.93
Rot. Bonds6

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

2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide (PubChem CID 18147602) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide
PubChem CID18147602
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)Cn1cnc2ncccc2c1=O
InChIInChI=1S/C19H20N4O2/c1-14(9-10-15-6-3-2-4-7-15)22-17(24)12-23-13-21-18-16(19(23)25)8-5-11-20-18/h2-8,11,13-14H,9-10,12H2,1H3,(H,22,24)
InChIKeyYJKDBXMNOIHJSQ-UHFFFAOYSA-N
XLogP1.93
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-oxoquinazolin-3-yl)-N-[(2S)-1-phenylpropan-2-yl]acetamide
CID 844929
2-(4-oxoquinazolin-3-yl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]acetamide
CID 60533590
2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-phenylbutan-2-yl)acetamide
CID 42892624
2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 50841429
2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 53001038
N-(2-methylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18165508
2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 53001145
2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 93060405
N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874878
2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 7885862
N-[(2R)-6-methylheptan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287364
N-(4-ethylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18165534

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide (CID 18147602) is 2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide is CC(CCc1ccccc1)NC(=O)Cn1cnc2ncccc2c1=O.
What is the InChIKey of 2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide?
The InChIKey is YJKDBXMNOIHJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-14(9-10-15-6-3-2-4-7-15)22-17(24)12-23-13-21-18-16(19(23)25)8-5-11-20-18/h2-8,11,13-14H,9-10,12H2,1H3,(H,22,24).
What are the key properties of 2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide?
2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide has a molecular weight of 336.40 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 18147602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).