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

C15H11ClN4O2 — CID 18165532

IUPACN-(3-chlorophenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
SMILESO=C(Cn1cnc2ncccc2c1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H11ClN4O2/c16-10-3-1-4-11(7-10)19-13(21)8-20-9-18-14-12(15(20)22)5-2-6-17-14/h1-7,9H,8H2,(H,19,21)
InChIKeyPBIJHHAKRFJORR-UHFFFAOYSA-N
MW314.73 g/mol
LogP2.08
Rot. Bonds3

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

N-(3-chlorophenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 18165532) has the molecular formula C15H11ClN4O2 and a molecular weight of 314.73 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID18165532
Molecular FormulaC15H11ClN4O2
Molecular Weight314.73 g/mol
Exact Mass314.06
IUPAC NameN-(3-chlorophenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
SMILESO=C(Cn1cnc2ncccc2c1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H11ClN4O2/c16-10-3-1-4-11(7-10)19-13(21)8-20-9-18-14-12(15(20)22)5-2-6-17-14/h1-7,9H,8H2,(H,19,21)
InChIKeyPBIJHHAKRFJORR-UHFFFAOYSA-N
XLogP2.08
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trichlorophenyl)acetamide
CID 18165522
N-(3-chlorophenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide
CID 4126183
N-(4-tert-butylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18165506
N-(4-ethylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18165534
N-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide
CID 115616708
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18147630
N-(3-chlorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679492
2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 18165536
N-(2-methylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18165508
N-(2-bromo-4-methylphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18165544
N-(3-chlorophenyl)-2-(2-methylimidazol-1-yl)acetamide
CID 60724518
2-(7-chloro-4-oxoquinazolin-3-yl)-N-(3-cyanophenyl)acetamide
CID 1280269

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide (CID 18165532) is N-(3-chlorophenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide is O=C(Cn1cnc2ncccc2c1=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is PBIJHHAKRFJORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O2/c16-10-3-1-4-11(7-10)19-13(21)8-20-9-18-14-12(15(20)22)5-2-6-17-14/h1-7,9H,8H2,(H,19,21).
What are the key properties of N-(3-chlorophenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide?
N-(3-chlorophenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 314.73 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 18165532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).