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

C18H20N4O3 — CID 110430033

IUPACN-(2-ethoxyphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propanamide
SMILESCCOc1ccccc1NC(=O)C(C)n1cnc2[nH]c(C)cc2c1=O
InChIInChI=1S/C18H20N4O3/c1-4-25-15-8-6-5-7-14(15)21-17(23)12(3)22-10-19-16-13(18(22)24)9-11(2)20-16/h5-10,12,20H,4H2,1-3H3,(H,21,23)
InChIKeyWBMGFPWLANKFBV-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.63
Rot. Bonds5

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

N-(2-ethoxyphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propanamide (PubChem CID 110430033) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propanamide
PubChem CID110430033
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-(2-ethoxyphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propanamide
SMILESCCOc1ccccc1NC(=O)C(C)n1cnc2[nH]c(C)cc2c1=O
InChIInChI=1S/C18H20N4O3/c1-4-25-15-8-6-5-7-14(15)21-17(23)12(3)22-10-19-16-13(18(22)24)9-11(2)20-16/h5-10,12,20H,4H2,1-3H3,(H,21,23)
InChIKeyWBMGFPWLANKFBV-UHFFFAOYSA-N
XLogP2.63
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(2-ethoxyphenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 7729683
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CID 44638739
(2S)-2-[5-(4-bromophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-ethoxyphenyl)propanamide
CID 40840671
N-(2-ethoxyphenyl)-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)propanamide
CID 44638716
ethyl 3-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 7454012
(2S)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(2-ethoxyphenyl)propanamide
CID 87040089
(2S)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 40792378
(2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263916
4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496044
N-(2-ethoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 46631059
(2R)-N-(2-ethoxyphenyl)-2-(2-methylphenoxy)propanamide
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(2R)-2-(3,5-dimethylphenoxy)-N-(2-ethoxyphenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propanamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propanamide (CID 110430033) is N-(2-ethoxyphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propanamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propanamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propanamide is CCOc1ccccc1NC(=O)C(C)n1cnc2[nH]c(C)cc2c1=O.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propanamide?
The InChIKey is WBMGFPWLANKFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-4-25-15-8-6-5-7-14(15)21-17(23)12(3)22-10-19-16-13(18(22)24)9-11(2)20-16/h5-10,12,20H,4H2,1-3H3,(H,21,23).
What are the key properties of N-(2-ethoxyphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propanamide?
N-(2-ethoxyphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propanamide has a molecular weight of 340.38 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 110430033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).