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

C17H17ClN4O2 — CID 110430059

IUPACN-(3-chloro-4-methylphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propanamide
SMILESCc1cc2c(=O)n(C(C)C(=O)Nc3ccc(C)c(Cl)c3)cnc2[nH]1
InChIInChI=1S/C17H17ClN4O2/c1-9-4-5-12(7-14(9)18)21-16(23)11(3)22-8-19-15-13(17(22)24)6-10(2)20-15/h4-8,11,20H,1-3H3,(H,21,23)
InChIKeyCUKZVUOIWCXCEL-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.19
Rot. Bonds3

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

N-(3-chloro-4-methylphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propanamide (PubChem CID 110430059) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propanamide
PubChem CID110430059
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propanamide
SMILESCc1cc2c(=O)n(C(C)C(=O)Nc3ccc(C)c(Cl)c3)cnc2[nH]1
InChIInChI=1S/C17H17ClN4O2/c1-9-4-5-12(7-14(9)18)21-16(23)11(3)22-8-19-15-13(17(22)24)6-10(2)20-15/h4-8,11,20H,1-3H3,(H,21,23)
InChIKeyCUKZVUOIWCXCEL-UHFFFAOYSA-N
XLogP3.19
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propanamide
CID 110430033
3-[(2R)-1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 1412688
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
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N-(3-chloro-4-methylphenyl)-2-[5-(2,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
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1-[(2S)-1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]-N-(3-chloro-4-methylphenyl)pyrazole-3-carboxamide
CID 29097720
cyclohexyl 3-[1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 44638316
2-amino-N-(3-chloro-4-methylphenyl)propanamide
CID 24694047
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 3150564
3-[1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 23409877
N-(3-chloro-4-methylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 20999450
N-(4-chloro-2-methylphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propanamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propanamide (CID 110430059) is N-(3-chloro-4-methylphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propanamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propanamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propanamide is Cc1cc2c(=O)n(C(C)C(=O)Nc3ccc(C)c(Cl)c3)cnc2[nH]1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propanamide?
The InChIKey is CUKZVUOIWCXCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c1-9-4-5-12(7-14(9)18)21-16(23)11(3)22-8-19-15-13(17(22)24)6-10(2)20-15/h4-8,11,20H,1-3H3,(H,21,23).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propanamide?
N-(3-chloro-4-methylphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propanamide has a molecular weight of 344.80 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 110430059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).