methyl 3-[(1-methyl-5-phenylpyrazol-3-yl)amino]pyridine-4-carboxylate

C17H16N4O2 — CID 118969987

IUPACmethyl 3-[(1-methyl-5-phenylpyrazol-3-yl)amino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1Nc1cc(-c2ccccc2)n(C)n1
InChIInChI=1S/C17H16N4O2/c1-21-15(12-6-4-3-5-7-12)10-16(20-21)19-14-11-18-9-8-13(14)17(22)23-2/h3-11H,1-2H3,(H,19,20)
InChIKeyACWNLPNJMYRIOK-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.01
Rot. Bonds4

About methyl 3-[(1-methyl-5-phenylpyrazol-3-yl)amino]pyridine-4-carboxylate

methyl 3-[(1-methyl-5-phenylpyrazol-3-yl)amino]pyridine-4-carboxylate (PubChem CID 118969987) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is methyl 3-[(1-methyl-5-phenylpyrazol-3-yl)amino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(1-methyl-5-phenylpyrazol-3-yl)amino]pyridine-4-carboxylate
PubChem CID118969987
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Namemethyl 3-[(1-methyl-5-phenylpyrazol-3-yl)amino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1Nc1cc(-c2ccccc2)n(C)n1
InChIInChI=1S/C17H16N4O2/c1-21-15(12-6-4-3-5-7-12)10-16(20-21)19-14-11-18-9-8-13(14)17(22)23-2/h3-11H,1-2H3,(H,19,20)
InChIKeyACWNLPNJMYRIOK-UHFFFAOYSA-N
XLogP3.01
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-anilinopyridine-4-carboxylate
CID 14221935
methyl 3-[(1-propylindazol-3-yl)amino]pyridine-4-carboxylate
CID 90216554
methyl 3-[(5-methyl-1-phenylpyrazol-4-yl)amino]pyridine-4-carboxylate
CID 118969872
methyl 3-(2-nitroanilino)pyridine-4-carboxylate
CID 170913350
methyl 3-[[1-(2-morpholin-4-ylethyl)-4-phenylpyrazol-5-yl]amino]pyridine-4-carboxylate
CID 118969838
methyl 4-anilinopyridine-3-carboxylate
CID 119016910
methyl 3-[4-(2-chlorophenyl)-2-fluoroanilino]pyridine-4-carboxylate
CID 68762552
methyl 2-[[5-(3-methoxyphenyl)-1-methylpyrazole-3-carbonyl]amino]benzoate
CID 110336415
methyl 3-pyridin-3-ylpyridine-4-carboxylate
CID 46317485
methyl 3-[(5-fluoro-1-propylindazol-3-yl)amino]pyridine-4-carboxylate
CID 90216583
1-(4-chloro-2,5-dimethoxyphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813138
methyl 3-(ethenylamino)pyridine-4-carboxylate
CID 144656396

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-methyl-5-phenylpyrazol-3-yl)amino]pyridine-4-carboxylate?
The IUPAC name of methyl 3-[(1-methyl-5-phenylpyrazol-3-yl)amino]pyridine-4-carboxylate (CID 118969987) is methyl 3-[(1-methyl-5-phenylpyrazol-3-yl)amino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-[(1-methyl-5-phenylpyrazol-3-yl)amino]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-[(1-methyl-5-phenylpyrazol-3-yl)amino]pyridine-4-carboxylate is COC(=O)c1ccncc1Nc1cc(-c2ccccc2)n(C)n1.
What is the InChIKey of methyl 3-[(1-methyl-5-phenylpyrazol-3-yl)amino]pyridine-4-carboxylate?
The InChIKey is ACWNLPNJMYRIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-21-15(12-6-4-3-5-7-12)10-16(20-21)19-14-11-18-9-8-13(14)17(22)23-2/h3-11H,1-2H3,(H,19,20).
What are the key properties of methyl 3-[(1-methyl-5-phenylpyrazol-3-yl)amino]pyridine-4-carboxylate?
methyl 3-[(1-methyl-5-phenylpyrazol-3-yl)amino]pyridine-4-carboxylate has a molecular weight of 308.34 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-methyl-5-phenylpyrazol-3-yl)amino]pyridine-4-carboxylate is sourced from PubChem (CID 118969987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).