N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide

C20H20N4O5 — CID 131944175

IUPACN-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1cccc2c1OCC(NC(=O)c1cc(C)nc3c1c(=O)[nH]c(=O)n3C)C2
InChIInChI=1S/C20H20N4O5/c1-10-7-13(15-17(21-10)24(2)20(27)23-19(15)26)18(25)22-12-8-11-5-4-6-14(28-3)16(11)29-9-12/h4-7,12H,8-9H2,1-3H3,(H,22,25)(H,23,26,27)
InChIKeyRZRNEYADCVCEAN-UHFFFAOYSA-N
MW396.40 g/mol
LogP0.67
Rot. Bonds3

About N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide

N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 131944175) has the molecular formula C20H20N4O5 and a molecular weight of 396.40 g/mol. Its IUPAC name is N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID131944175
Molecular FormulaC20H20N4O5
Molecular Weight396.40 g/mol
Exact Mass396.14
IUPAC NameN-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1cccc2c1OCC(NC(=O)c1cc(C)nc3c1c(=O)[nH]c(=O)n3C)C2
InChIInChI=1S/C20H20N4O5/c1-10-7-13(15-17(21-10)24(2)20(27)23-19(15)26)18(25)22-12-8-11-5-4-6-14(28-3)16(11)29-9-12/h4-7,12H,8-9H2,1-3H3,(H,22,25)(H,23,26,27)
InChIKeyRZRNEYADCVCEAN-UHFFFAOYSA-N
XLogP0.67
TPSA115.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-2,6-dimethylpyrimidine-4-carboxamide
CID 131932776
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CID 137222532
2-cyclopropyl-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-1H-pyrrole-3-carboxamide
CID 126812603
2-chloro-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5-pyrazol-1-ylbenzamide
CID 131924324
N-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-2H-benzotriazole-5-carboxamide
CID 129396887
N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-2H-benzotriazole-5-carboxamide
CID 129396888
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 131927717
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 72863634
N-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]thiomorpholine-4-carboxamide
CID 95977711
1-(1,3-dimethylpyrazol-4-yl)-3-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
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(3S)-8-methoxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 136861463
N-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 97000804

Frequently Asked Questions

What is the IUPAC name of N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide (CID 131944175) is N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide is COc1cccc2c1OCC(NC(=O)c1cc(C)nc3c1c(=O)[nH]c(=O)n3C)C2.
What is the InChIKey of N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is RZRNEYADCVCEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5/c1-10-7-13(15-17(21-10)24(2)20(27)23-19(15)26)18(25)22-12-8-11-5-4-6-14(28-3)16(11)29-9-12/h4-7,12H,8-9H2,1-3H3,(H,22,25)(H,23,26,27).
What are the key properties of N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 396.40 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 131944175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).