N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide

C20H20N4O3 — CID 131927717

IUPACN-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCOc1cccc2c1OCC(NC(=O)c1cnn(-c3ccccn3)c1C)C2
InChIInChI=1S/C20H20N4O3/c1-13-16(11-22-24(13)18-8-3-4-9-21-18)20(25)23-15-10-14-6-5-7-17(26-2)19(14)27-12-15/h3-9,11,15H,10,12H2,1-2H3,(H,23,25)
InChIKeyNLDLASBFHCGBCR-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.32
Rot. Bonds4

About N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide

N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 131927717) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID131927717
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCOc1cccc2c1OCC(NC(=O)c1cnn(-c3ccccn3)c1C)C2
InChIInChI=1S/C20H20N4O3/c1-13-16(11-22-24(13)18-8-3-4-9-21-18)20(25)23-15-10-14-6-5-7-17(26-2)19(14)27-12-15/h3-9,11,15H,10,12H2,1-2H3,(H,23,25)
InChIKeyNLDLASBFHCGBCR-UHFFFAOYSA-N
XLogP2.32
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5-pyrazol-1-ylbenzamide
CID 131924324
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrimidin-2-amine
CID 56824753
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 156586340
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-2,6-dimethylpyrimidine-4-carboxamide
CID 131932776
5-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46546093
2-cyclopropyl-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-1H-pyrrole-3-carboxamide
CID 126812603
N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 137222532
5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 10998462
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 131944175
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)-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide
CID 56720229

Frequently Asked Questions

What is the IUPAC name of N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide (CID 131927717) is N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide is COc1cccc2c1OCC(NC(=O)c1cnn(-c3ccccn3)c1C)C2.
What is the InChIKey of N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is NLDLASBFHCGBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-13-16(11-22-24(13)18-8-3-4-9-21-18)20(25)23-15-10-14-6-5-7-17(26-2)19(14)27-12-15/h3-9,11,15H,10,12H2,1-2H3,(H,23,25).
What are the key properties of N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 131927717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).