N-[3-(4-chlorophenyl)-2-oxopyrido[2,1-b]purin-6-yl]acetamide

C17H12ClN5O2 — CID 110172580

IUPACN-[3-(4-chlorophenyl)-2-oxopyrido[2,1-b]purin-6-yl]acetamide
SMILESCC(=O)Nc1cccn2c3nc(=O)n(-c4ccc(Cl)cc4)c-3cnc12
InChIInChI=1S/C17H12ClN5O2/c1-10(24)20-13-3-2-8-22-15(13)19-9-14-16(22)21-17(25)23(14)12-6-4-11(18)5-7-12/h2-9H,1H3,(H,20,24)
InChIKeyOSPPKVTXNIGCOK-UHFFFAOYSA-N
MW353.77 g/mol
LogP2.60
Rot. Bonds2

About N-[3-(4-chlorophenyl)-2-oxopyrido[2,1-b]purin-6-yl]acetamide

N-[3-(4-chlorophenyl)-2-oxopyrido[2,1-b]purin-6-yl]acetamide (PubChem CID 110172580) has the molecular formula C17H12ClN5O2 and a molecular weight of 353.77 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-2-oxopyrido[2,1-b]purin-6-yl]acetamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-2-oxopyrido[2,1-b]purin-6-yl]acetamide
PubChem CID110172580
Molecular FormulaC17H12ClN5O2
Molecular Weight353.77 g/mol
Exact Mass353.07
IUPAC NameN-[3-(4-chlorophenyl)-2-oxopyrido[2,1-b]purin-6-yl]acetamide
SMILESCC(=O)Nc1cccn2c3nc(=O)n(-c4ccc(Cl)cc4)c-3cnc12
InChIInChI=1S/C17H12ClN5O2/c1-10(24)20-13-3-2-8-22-15(13)19-9-14-16(22)21-17(25)23(14)12-6-4-11(18)5-7-12/h2-9H,1H3,(H,20,24)
InChIKeyOSPPKVTXNIGCOK-UHFFFAOYSA-N
XLogP2.60
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.77
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-bromoimidazo[1,2-a]pyridin-8-yl)acetamide
CID 46838754
3-(4-chlorophenyl)-N-propan-2-ylimidazo[1,2-a]pyridin-8-amine
CID 69163450
2-(4-chlorophenyl)-N-(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)acetamide
CID 110735391
N-(3-acetamido-2-methylphenyl)-1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 86922095
2-[1-(4-chlorophenyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid
CID 62096016
N-(2-acetamidophenyl)-2-(4-chlorophenoxy)acetamide
CID 113093665
1-(4-chlorophenyl)-2-methyl-6-oxopyrimidine-5-carboxylic acid
CID 21325515
3-(4-chlorophenyl)-2,5-dimethylimidazole-4-carboxylic acid
CID 82297670
3-(4-chlorophenyl)-6-methylimidazo[4,5-b]pyridin-2-amine
CID 79301249
N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 57278504
[(1S)-1-[3-(4-chlorophenyl)imidazo[4,5-b]pyridin-2-yl]ethyl]carbamic acid
CID 141346004
10-(4-chlorophenyl)pyrido[3,2-g]pteridine-2,4-dione
CID 629679

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-2-oxopyrido[2,1-b]purin-6-yl]acetamide?
The IUPAC name of N-[3-(4-chlorophenyl)-2-oxopyrido[2,1-b]purin-6-yl]acetamide (CID 110172580) is N-[3-(4-chlorophenyl)-2-oxopyrido[2,1-b]purin-6-yl]acetamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-2-oxopyrido[2,1-b]purin-6-yl]acetamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-2-oxopyrido[2,1-b]purin-6-yl]acetamide is CC(=O)Nc1cccn2c3nc(=O)n(-c4ccc(Cl)cc4)c-3cnc12.
What is the InChIKey of N-[3-(4-chlorophenyl)-2-oxopyrido[2,1-b]purin-6-yl]acetamide?
The InChIKey is OSPPKVTXNIGCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5O2/c1-10(24)20-13-3-2-8-22-15(13)19-9-14-16(22)21-17(25)23(14)12-6-4-11(18)5-7-12/h2-9H,1H3,(H,20,24).
What are the key properties of N-[3-(4-chlorophenyl)-2-oxopyrido[2,1-b]purin-6-yl]acetamide?
N-[3-(4-chlorophenyl)-2-oxopyrido[2,1-b]purin-6-yl]acetamide has a molecular weight of 353.77 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-2-oxopyrido[2,1-b]purin-6-yl]acetamide is sourced from PubChem (CID 110172580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).