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

C17H16N4O2 — CID 118969872

IUPACmethyl 3-[(5-methyl-1-phenylpyrazol-4-yl)amino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1Nc1cnn(-c2ccccc2)c1C
InChIInChI=1S/C17H16N4O2/c1-12-15(11-19-21(12)13-6-4-3-5-7-13)20-16-10-18-9-8-14(16)17(22)23-2/h3-11,20H,1-2H3
InChIKeyZMZKDVPLJFOZOJ-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.11
Rot. Bonds4

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

methyl 3-[(5-methyl-1-phenylpyrazol-4-yl)amino]pyridine-4-carboxylate (PubChem CID 118969872) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is methyl 3-[(5-methyl-1-phenylpyrazol-4-yl)amino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(5-methyl-1-phenylpyrazol-4-yl)amino]pyridine-4-carboxylate
PubChem CID118969872
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Namemethyl 3-[(5-methyl-1-phenylpyrazol-4-yl)amino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1Nc1cnn(-c2ccccc2)c1C
InChIInChI=1S/C17H16N4O2/c1-12-15(11-19-21(12)13-6-4-3-5-7-13)20-16-10-18-9-8-14(16)17(22)23-2/h3-11,20H,1-2H3
InChIKeyZMZKDVPLJFOZOJ-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-anilinopyridine-4-carboxylate
CID 14221935
methyl 3-[[5-methyl-1-[(3S,4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate
CID 118961749
N-(5-methyl-1-phenylpyrazol-4-yl)pyridine-4-carboxamide
CID 11242907
methyl 3-[[5-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate
CID 118961929
methyl 3-[[5-methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate
CID 118961699
methyl 4-methyl-3-[[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethyl]amino]benzoate
CID 58861293
methyl 3-(2-nitroanilino)pyridine-4-carboxylate
CID 170913350
methyl 4-anilinopyridine-3-carboxylate
CID 119016910
methyl 3-[(1-methyl-5-phenylpyrazol-3-yl)amino]pyridine-4-carboxylate
CID 118969987
methyl 5-methyl-1-(4-prop-1-en-2-ylphenyl)pyrazole-4-carboxylate
CID 86692434
5-methyl-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide
CID 17464539
methyl 4-(5-methyl-1-phenylpyrazol-4-yl)-2,4-dioxobutanoate
CID 4736888

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-methyl-1-phenylpyrazol-4-yl)amino]pyridine-4-carboxylate?
The IUPAC name of methyl 3-[(5-methyl-1-phenylpyrazol-4-yl)amino]pyridine-4-carboxylate (CID 118969872) is methyl 3-[(5-methyl-1-phenylpyrazol-4-yl)amino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-[(5-methyl-1-phenylpyrazol-4-yl)amino]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-[(5-methyl-1-phenylpyrazol-4-yl)amino]pyridine-4-carboxylate is COC(=O)c1ccncc1Nc1cnn(-c2ccccc2)c1C.
What is the InChIKey of methyl 3-[(5-methyl-1-phenylpyrazol-4-yl)amino]pyridine-4-carboxylate?
The InChIKey is ZMZKDVPLJFOZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-12-15(11-19-21(12)13-6-4-3-5-7-13)20-16-10-18-9-8-14(16)17(22)23-2/h3-11,20H,1-2H3.
What are the key properties of methyl 3-[(5-methyl-1-phenylpyrazol-4-yl)amino]pyridine-4-carboxylate?
methyl 3-[(5-methyl-1-phenylpyrazol-4-yl)amino]pyridine-4-carboxylate has a molecular weight of 308.34 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-methyl-1-phenylpyrazol-4-yl)amino]pyridine-4-carboxylate is sourced from PubChem (CID 118969872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).