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

C16H15ClN4O2 — CID 110429967

IUPACN-(4-chloro-2-methylphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1cc2c(=O)n(CC(=O)Nc3ccc(Cl)cc3C)cnc2[nH]1
InChIInChI=1S/C16H15ClN4O2/c1-9-5-11(17)3-4-13(9)20-14(22)7-21-8-18-15-12(16(21)23)6-10(2)19-15/h3-6,8,19H,7H2,1-2H3,(H,20,22)
InChIKeyTYDYBWCNXTVNAX-UHFFFAOYSA-N
MW330.78 g/mol
LogP2.63
Rot. Bonds3

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

N-(4-chloro-2-methylphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 110429967) has the molecular formula C16H15ClN4O2 and a molecular weight of 330.78 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID110429967
Molecular FormulaC16H15ClN4O2
Molecular Weight330.78 g/mol
Exact Mass330.09
IUPAC NameN-(4-chloro-2-methylphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1cc2c(=O)n(CC(=O)Nc3ccc(Cl)cc3C)cnc2[nH]1
InChIInChI=1S/C16H15ClN4O2/c1-9-5-11(17)3-4-13(9)20-14(22)7-21-8-18-15-12(16(21)23)6-10(2)19-15/h3-6,8,19H,7H2,1-2H3,(H,20,22)
InChIKeyTYDYBWCNXTVNAX-UHFFFAOYSA-N
XLogP2.63
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide
CID 110430077
N-(4-chloro-2-methylphenyl)-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 3475689
N-(4-chloro-2-methylphenyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
CID 7628708
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-chloro-2-methylphenyl)acetamide
CID 7275237
2-[[2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoic acid
CID 110429943
N-(3-hydroxyphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide
CID 110429799
N-(5-chloro-2-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 853101
N-(5-chloro-2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51265002
1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 82107996
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(7-chloro-4-oxoquinazolin-3-yl)acetamide
CID 24528411
2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-N,N-dipropylacetamide
CID 110429772
N-(2-amino-4-chlorophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 61227111

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide (CID 110429967) is N-(4-chloro-2-methylphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide is Cc1cc2c(=O)n(CC(=O)Nc3ccc(Cl)cc3C)cnc2[nH]1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is TYDYBWCNXTVNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2/c1-9-5-11(17)3-4-13(9)20-14(22)7-21-8-18-15-12(16(21)23)6-10(2)19-15/h3-6,8,19H,7H2,1-2H3,(H,20,22).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide?
N-(4-chloro-2-methylphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 330.78 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 110429967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).