N-(3-hydroxyphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide

C15H14N4O3 — CID 110429799

IUPACN-(3-hydroxyphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1cc2c(=O)n(CC(=O)Nc3cccc(O)c3)cnc2[nH]1
InChIInChI=1S/C15H14N4O3/c1-9-5-12-14(17-9)16-8-19(15(12)22)7-13(21)18-10-3-2-4-11(20)6-10/h2-6,8,17,20H,7H2,1H3,(H,18,21)
InChIKeyWRSRURPLIVBYJU-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.38
Rot. Bonds3

About N-(3-hydroxyphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide

N-(3-hydroxyphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 110429799) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID110429799
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC NameN-(3-hydroxyphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1cc2c(=O)n(CC(=O)Nc3cccc(O)c3)cnc2[nH]1
InChIInChI=1S/C15H14N4O3/c1-9-5-12-14(17-9)16-8-19(15(12)22)7-13(21)18-10-3-2-4-11(20)6-10/h2-6,8,17,20H,7H2,1H3,(H,18,21)
InChIKeyWRSRURPLIVBYJU-UHFFFAOYSA-N
XLogP1.38
TPSA100.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoic acid
CID 110429943
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CID 110429967
N-(5-chloro-2-methoxyphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide
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N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 852114
N-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
CID 87026199
2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N,N-dipropylacetamide
CID 110429772
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-methylphenyl)acetamide
CID 22423881
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CID 27033610
N-(3,4-dichlorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27873306
N-(3-chlorophenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18165532
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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(3-hydroxyphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide (CID 110429799) is N-(3-hydroxyphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(3-hydroxyphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide is Cc1cc2c(=O)n(CC(=O)Nc3cccc(O)c3)cnc2[nH]1.
What is the InChIKey of N-(3-hydroxyphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is WRSRURPLIVBYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-9-5-12-14(17-9)16-8-19(15(12)22)7-13(21)18-10-3-2-4-11(20)6-10/h2-6,8,17,20H,7H2,1H3,(H,18,21).
What are the key properties of N-(3-hydroxyphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide?
N-(3-hydroxyphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 298.30 g/mol, XLogP of 1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 110429799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).