ethyl 2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carboxylate

C13H16N4O2 — CID 82874044

IUPACethyl 2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NCc1ccn(C)n1
InChIInChI=1S/C13H16N4O2/c1-3-19-13(18)11-5-4-7-14-12(11)15-9-10-6-8-17(2)16-10/h4-8H,3,9H2,1-2H3,(H,14,15)
InChIKeyZIGAHQXEYVCSDS-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.60
Rot. Bonds5

About ethyl 2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carboxylate

ethyl 2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carboxylate (PubChem CID 82874044) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is ethyl 2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carboxylate
PubChem CID82874044
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Nameethyl 2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NCc1ccn(C)n1
InChIInChI=1S/C13H16N4O2/c1-3-19-13(18)11-5-4-7-14-12(11)15-9-10-6-8-17(2)16-10/h4-8H,3,9H2,1-2H3,(H,14,15)
InChIKeyZIGAHQXEYVCSDS-UHFFFAOYSA-N
XLogP1.60
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(1-methylpyrazol-3-yl)amino]pyridine-3-carboxylate
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3-ethyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine
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ethyl 2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carboxylate
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ethyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate
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ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
CID 146675652
ethyl 2-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate
CID 43310600
ethyl 2-(2,2-difluoroethylamino)pyridine-3-carboxylate
CID 115407605
ethyl 2-[(5-bromothiophen-2-yl)methylamino]pyridine-3-carboxylate
CID 54900601
ethyl 2-[[(E)-4-aminobut-2-enyl]amino]pyridine-3-carboxylate
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CID 104695551

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carboxylate (CID 82874044) is ethyl 2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carboxylate is CCOC(=O)c1cccnc1NCc1ccn(C)n1.
What is the InChIKey of ethyl 2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carboxylate?
The InChIKey is ZIGAHQXEYVCSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-3-19-13(18)11-5-4-7-14-12(11)15-9-10-6-8-17(2)16-10/h4-8H,3,9H2,1-2H3,(H,14,15).
What are the key properties of ethyl 2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carboxylate?
ethyl 2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carboxylate has a molecular weight of 260.30 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 82874044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).