methyl 3-[[1-(2-cyanophenyl)-3-methylpyrazol-4-yl]amino]pyridine-4-carboxylate

C18H15N5O2 — CID 118970275

IUPACmethyl 3-[[1-(2-cyanophenyl)-3-methylpyrazol-4-yl]amino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1Nc1cn(-c2ccccc2C#N)nc1C
InChIInChI=1S/C18H15N5O2/c1-12-16(21-15-10-20-8-7-14(15)18(24)25-2)11-23(22-12)17-6-4-3-5-13(17)9-19/h3-8,10-11,21H,1-2H3
InChIKeyIWUVNCRMUNQASK-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.98
Rot. Bonds4

About methyl 3-[[1-(2-cyanophenyl)-3-methylpyrazol-4-yl]amino]pyridine-4-carboxylate

methyl 3-[[1-(2-cyanophenyl)-3-methylpyrazol-4-yl]amino]pyridine-4-carboxylate (PubChem CID 118970275) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is methyl 3-[[1-(2-cyanophenyl)-3-methylpyrazol-4-yl]amino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[1-(2-cyanophenyl)-3-methylpyrazol-4-yl]amino]pyridine-4-carboxylate
PubChem CID118970275
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Namemethyl 3-[[1-(2-cyanophenyl)-3-methylpyrazol-4-yl]amino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1Nc1cn(-c2ccccc2C#N)nc1C
InChIInChI=1S/C18H15N5O2/c1-12-16(21-15-10-20-8-7-14(15)18(24)25-2)11-23(22-12)17-6-4-3-5-13(17)9-19/h3-8,10-11,21H,1-2H3
InChIKeyIWUVNCRMUNQASK-UHFFFAOYSA-N
XLogP2.98
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-anilinopyridine-4-carboxylate
CID 14221935
methyl 3-(2-nitroanilino)pyridine-4-carboxylate
CID 170913350
methyl 3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate
CID 118969788
methyl 3-[(5-methyl-1-phenylpyrazol-4-yl)amino]pyridine-4-carboxylate
CID 118969872
methyl 3-[[3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate
CID 118961783
methyl 3-[[3-methyl-1-[(3S,4S)-4-methyl-1-phenylmethoxycarbonylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-4-carboxylate
CID 118970016
methyl 3-[(1-methyl-5-phenylpyrazol-3-yl)amino]pyridine-4-carboxylate
CID 118969987
methyl 3-(ethenylamino)pyridine-4-carboxylate
CID 144656396
tert-butyl (4R)-4-[4-[(4-methoxycarbonyl-3-pyridinyl)amino]-3-methylpyrazol-1-yl]azepane-1-carboxylate
CID 118969832
methyl 4-anilinopyridine-3-carboxylate
CID 119016910
methyl 3-[(1-propylindazol-3-yl)amino]pyridine-4-carboxylate
CID 90216554
2-(3,4-dibenzoylpyrazol-1-yl)benzonitrile
CID 175705343

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(2-cyanophenyl)-3-methylpyrazol-4-yl]amino]pyridine-4-carboxylate?
The IUPAC name of methyl 3-[[1-(2-cyanophenyl)-3-methylpyrazol-4-yl]amino]pyridine-4-carboxylate (CID 118970275) is methyl 3-[[1-(2-cyanophenyl)-3-methylpyrazol-4-yl]amino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-[[1-(2-cyanophenyl)-3-methylpyrazol-4-yl]amino]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-[[1-(2-cyanophenyl)-3-methylpyrazol-4-yl]amino]pyridine-4-carboxylate is COC(=O)c1ccncc1Nc1cn(-c2ccccc2C#N)nc1C.
What is the InChIKey of methyl 3-[[1-(2-cyanophenyl)-3-methylpyrazol-4-yl]amino]pyridine-4-carboxylate?
The InChIKey is IWUVNCRMUNQASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-12-16(21-15-10-20-8-7-14(15)18(24)25-2)11-23(22-12)17-6-4-3-5-13(17)9-19/h3-8,10-11,21H,1-2H3.
What are the key properties of methyl 3-[[1-(2-cyanophenyl)-3-methylpyrazol-4-yl]amino]pyridine-4-carboxylate?
methyl 3-[[1-(2-cyanophenyl)-3-methylpyrazol-4-yl]amino]pyridine-4-carboxylate has a molecular weight of 333.35 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(2-cyanophenyl)-3-methylpyrazol-4-yl]amino]pyridine-4-carboxylate is sourced from PubChem (CID 118970275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).