N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide

C20H22N4O3 — CID 154843635

IUPACN-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCc1ccc(Oc2cc(C)ccc2C)nc1
InChIInChI=1S/C20H22N4O3/c1-13-5-6-14(2)17(9-13)27-18-8-7-15(10-21-18)11-22-19(25)16-12-24(3)23-20(16)26-4/h5-10,12H,11H2,1-4H3,(H,22,25)
InChIKeyIDNBPNLUUGGJSP-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.16
Rot. Bonds6

About N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide

N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide (PubChem CID 154843635) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide
PubChem CID154843635
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCc1ccc(Oc2cc(C)ccc2C)nc1
InChIInChI=1S/C20H22N4O3/c1-13-5-6-14(2)17(9-13)27-18-8-7-15(10-21-18)11-22-19(25)16-12-24(3)23-20(16)26-4/h5-10,12H,11H2,1-4H3,(H,22,25)
InChIKeyIDNBPNLUUGGJSP-UHFFFAOYSA-N
XLogP3.16
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-3,5-dimethoxybenzamide
CID 55713703
N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 55725072
4-bromo-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
CID 55713360
4-cyano-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2,6-difluorobenzamide
CID 71922134
2-cyano-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide
CID 60530398
(2R)-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 95233356
N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 46478525
N-[1-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methylamino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 46478671
N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56567362
2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methylbenzamide
CID 62513842
N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 51123369
N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55963151

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide (CID 154843635) is N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide is COc1nn(C)cc1C(=O)NCc1ccc(Oc2cc(C)ccc2C)nc1.
What is the InChIKey of N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The InChIKey is IDNBPNLUUGGJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13-5-6-14(2)17(9-13)27-18-8-7-15(10-21-18)11-22-19(25)16-12-24(3)23-20(16)26-4/h5-10,12H,11H2,1-4H3,(H,22,25).
What are the key properties of N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 154843635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).