methyl 2-methyl-6-[(2-pyrazol-1-ylphenyl)methylamino]pyridine-3-carboxylate

C18H18N4O2 — CID 133391365

IUPACmethyl 2-methyl-6-[(2-pyrazol-1-ylphenyl)methylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NCc2ccccc2-n2cccn2)nc1C
InChIInChI=1S/C18H18N4O2/c1-13-15(18(23)24-2)8-9-17(21-13)19-12-14-6-3-4-7-16(14)22-11-5-10-20-22/h3-11H,12H2,1-2H3,(H,19,21)
InChIKeyFBCFBTCDEBVDGJ-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.97
Rot. Bonds5

About methyl 2-methyl-6-[(2-pyrazol-1-ylphenyl)methylamino]pyridine-3-carboxylate

methyl 2-methyl-6-[(2-pyrazol-1-ylphenyl)methylamino]pyridine-3-carboxylate (PubChem CID 133391365) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is methyl 2-methyl-6-[(2-pyrazol-1-ylphenyl)methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-6-[(2-pyrazol-1-ylphenyl)methylamino]pyridine-3-carboxylate
PubChem CID133391365
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Namemethyl 2-methyl-6-[(2-pyrazol-1-ylphenyl)methylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NCc2ccccc2-n2cccn2)nc1C
InChIInChI=1S/C18H18N4O2/c1-13-15(18(23)24-2)8-9-17(21-13)19-12-14-6-3-4-7-16(14)22-11-5-10-20-22/h3-11H,12H2,1-2H3,(H,19,21)
InChIKeyFBCFBTCDEBVDGJ-UHFFFAOYSA-N
XLogP2.97
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[(2-pyrazol-1-ylphenyl)methyl]carbamate
CID 63789237
methyl 2-[(2-pyrazol-1-ylphenyl)methylamino]acetate
CID 61167303
N,N,2-trimethyl-5-[(2-pyrazol-1-ylphenyl)methylamino]benzamide
CID 71913359
2-amino-3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide
CID 81089680
5-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-2-amine
CID 61166350
N-[(2-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 154887071
N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-4-amine
CID 61167306
methyl 2-methyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-carboxylate
CID 103847119
N-methyl-3-[(2-pyrazol-1-ylphenyl)methylamino]propanamide
CID 62324592
2-methylsulfonyl-N-[(2-pyrazol-1-ylphenyl)methyl]aniline
CID 133270594
methyl 2-methyl-6-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-3-carboxylate
CID 104695958
N-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide
CID 47454487

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-6-[(2-pyrazol-1-ylphenyl)methylamino]pyridine-3-carboxylate?
The IUPAC name of methyl 2-methyl-6-[(2-pyrazol-1-ylphenyl)methylamino]pyridine-3-carboxylate (CID 133391365) is methyl 2-methyl-6-[(2-pyrazol-1-ylphenyl)methylamino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-6-[(2-pyrazol-1-ylphenyl)methylamino]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-methyl-6-[(2-pyrazol-1-ylphenyl)methylamino]pyridine-3-carboxylate is COC(=O)c1ccc(NCc2ccccc2-n2cccn2)nc1C.
What is the InChIKey of methyl 2-methyl-6-[(2-pyrazol-1-ylphenyl)methylamino]pyridine-3-carboxylate?
The InChIKey is FBCFBTCDEBVDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-13-15(18(23)24-2)8-9-17(21-13)19-12-14-6-3-4-7-16(14)22-11-5-10-20-22/h3-11H,12H2,1-2H3,(H,19,21).
What are the key properties of methyl 2-methyl-6-[(2-pyrazol-1-ylphenyl)methylamino]pyridine-3-carboxylate?
methyl 2-methyl-6-[(2-pyrazol-1-ylphenyl)methylamino]pyridine-3-carboxylate has a molecular weight of 322.37 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-6-[(2-pyrazol-1-ylphenyl)methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 133391365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).