1-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-3-pyridin-4-ylpyrazole-5-carboxamide

C22H19N5O2 — CID 166377452

IUPAC1-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-3-pyridin-4-ylpyrazole-5-carboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)c3cc(-c4ccncc4)nn3C)cn2)cc1
InChIInChI=1S/C22H19N5O2/c1-15-3-6-18(7-4-15)29-21-8-5-17(14-24-21)25-22(28)20-13-19(26-27(20)2)16-9-11-23-12-10-16/h3-14H,1-2H3,(H,25,28)
InChIKeyNXLOIJHFCSVBAU-UHFFFAOYSA-N
MW385.43 g/mol
LogP4.23
Rot. Bonds5

About 1-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-3-pyridin-4-ylpyrazole-5-carboxamide

1-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-3-pyridin-4-ylpyrazole-5-carboxamide (PubChem CID 166377452) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 1-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-3-pyridin-4-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-3-pyridin-4-ylpyrazole-5-carboxamide
PubChem CID166377452
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name1-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-3-pyridin-4-ylpyrazole-5-carboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)c3cc(-c4ccncc4)nn3C)cn2)cc1
InChIInChI=1S/C22H19N5O2/c1-15-3-6-18(7-4-15)29-21-8-5-17(14-24-21)25-22(28)20-13-19(26-27(20)2)16-9-11-23-12-10-16/h3-14H,1-2H3,(H,25,28)
InChIKeyNXLOIJHFCSVBAU-UHFFFAOYSA-N
XLogP4.23
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-3-pyridin-3-ylpyrazole-5-carboxamide
CID 166377453
3-(4-fluorophenyl)-1-methyl-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]pyrazole-5-carboxamide
CID 122306729
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 122307107
3-(4-fluorophenyl)-N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methylpyrazole-5-carboxamide
CID 122300852
N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 122313578
1-methyl-3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]pyrazole-5-carboxamide
CID 122307817
N-(2-ethoxypyrimidin-5-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 122301993
1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 42691260
5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 166200539
N-[6-(4-methylphenoxy)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 55787663
1-methyl-3-N,5-N-bis(4-methylphenyl)pyrazole-3,5-dicarboxamide
CID 679026
1-[(2S)-1-hydroxypropan-2-yl]-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 94734823

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-3-pyridin-4-ylpyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-3-pyridin-4-ylpyrazole-5-carboxamide (CID 166377452) is 1-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-3-pyridin-4-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-3-pyridin-4-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-3-pyridin-4-ylpyrazole-5-carboxamide is Cc1ccc(Oc2ccc(NC(=O)c3cc(-c4ccncc4)nn3C)cn2)cc1.
What is the InChIKey of 1-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-3-pyridin-4-ylpyrazole-5-carboxamide?
The InChIKey is NXLOIJHFCSVBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-15-3-6-18(7-4-15)29-21-8-5-17(14-24-21)25-22(28)20-13-19(26-27(20)2)16-9-11-23-12-10-16/h3-14H,1-2H3,(H,25,28).
What are the key properties of 1-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-3-pyridin-4-ylpyrazole-5-carboxamide?
1-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-3-pyridin-4-ylpyrazole-5-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-3-pyridin-4-ylpyrazole-5-carboxamide is sourced from PubChem (CID 166377452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).