N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide

C24H24N4O4 — CID 43064323

IUPACN-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
SMILESCOc1ccc2c(C)c(CCC(=O)Nc3ccc(-n4nc(C)cc4C)nc3)c(=O)oc2c1
InChIInChI=1S/C24H24N4O4/c1-14-11-15(2)28(27-14)22-9-5-17(13-25-22)26-23(29)10-8-20-16(3)19-7-6-18(31-4)12-21(19)32-24(20)30/h5-7,9,11-13H,8,10H2,1-4H3,(H,26,29)
InChIKeyRNUVCVVACBUWRN-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.88
Rot. Bonds6

About N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide

N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide (PubChem CID 43064323) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide.

Molecular Properties

Compound NameN-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
PubChem CID43064323
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC NameN-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
SMILESCOc1ccc2c(C)c(CCC(=O)Nc3ccc(-n4nc(C)cc4C)nc3)c(=O)oc2c1
InChIInChI=1S/C24H24N4O4/c1-14-11-15(2)28(27-14)22-9-5-17(13-25-22)26-23(29)10-8-20-16(3)19-7-6-18(31-4)12-21(19)32-24(20)30/h5-7,9,11-13H,8,10H2,1-4H3,(H,26,29)
InChIKeyRNUVCVVACBUWRN-UHFFFAOYSA-N
XLogP3.88
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 46478105
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-pyridin-4-ylpropanamide
CID 51297554
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanehydrazide
CID 34390006
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 34464629
dimethyl 5-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]benzene-1,3-dicarboxylate
CID 46650496
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 16604979
N-(3-cyanophenyl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 51271966
N-(2,4-dimethylphenyl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 51272005
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
CID 24535149
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56556066
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(furan-2-yl)propanamide
CID 43071070
N-[3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-4-methylphenyl]-2-methylpropanamide
CID 55708300

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide?
The IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide (CID 43064323) is N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide.
What is the SMILES notation for N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide?
The canonical SMILES for N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide is COc1ccc2c(C)c(CCC(=O)Nc3ccc(-n4nc(C)cc4C)nc3)c(=O)oc2c1.
What is the InChIKey of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide?
The InChIKey is RNUVCVVACBUWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-14-11-15(2)28(27-14)22-9-5-17(13-25-22)26-23(29)10-8-20-16(3)19-7-6-18(31-4)12-21(19)32-24(20)30/h5-7,9,11-13H,8,10H2,1-4H3,(H,26,29).
What are the key properties of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide?
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide has a molecular weight of 432.48 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide is sourced from PubChem (CID 43064323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).