N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-2-ethyl-6-oxo-1H-pyrimidine-5-carboxamide

C18H21N3O4 — CID 138013320

IUPACN-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-2-ethyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCOc1ccc2c(c1)C(NC(=O)c1cnc(CC)[nH]c1=O)CCO2
InChIInChI=1S/C18H21N3O4/c1-3-16-19-10-13(18(23)21-16)17(22)20-14-7-8-25-15-6-5-11(24-4-2)9-12(14)15/h5-6,9-10,14H,3-4,7-8H2,1-2H3,(H,20,22)(H,19,21,23)
InChIKeyHJQLGNWLFCONSS-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.98
Rot. Bonds5

About N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-2-ethyl-6-oxo-1H-pyrimidine-5-carboxamide

N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-2-ethyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 138013320) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-2-ethyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-2-ethyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID138013320
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-2-ethyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCOc1ccc2c(c1)C(NC(=O)c1cnc(CC)[nH]c1=O)CCO2
InChIInChI=1S/C18H21N3O4/c1-3-16-19-10-13(18(23)21-16)17(22)20-14-7-8-25-15-6-5-11(24-4-2)9-12(14)15/h5-6,9-10,14H,3-4,7-8H2,1-2H3,(H,20,22)(H,19,21,23)
InChIKeyHJQLGNWLFCONSS-UHFFFAOYSA-N
XLogP1.98
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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6-ethoxy-4-(sulfamoylamino)-3,4-dihydro-2H-chromene
CID 126793066
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CID 126780314
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CID 95976843
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N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(2-methylpropoxy)benzamide
CID 108742175
4-hexoxy-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108757448
N-[(2S)-1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 8927895
5-(difluoromethyl)-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide
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4-butoxy-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-2-ethyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-2-ethyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 138013320) is N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-2-ethyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-2-ethyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-2-ethyl-6-oxo-1H-pyrimidine-5-carboxamide is CCOc1ccc2c(c1)C(NC(=O)c1cnc(CC)[nH]c1=O)CCO2.
What is the InChIKey of N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-2-ethyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is HJQLGNWLFCONSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-3-16-19-10-13(18(23)21-16)17(22)20-14-7-8-25-15-6-5-11(24-4-2)9-12(14)15/h5-6,9-10,14H,3-4,7-8H2,1-2H3,(H,20,22)(H,19,21,23).
What are the key properties of N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-2-ethyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-2-ethyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-2-ethyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 138013320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).