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

C12H14N4O2 — CID 79778395

IUPACethyl 2-[(1-methylpyrazol-3-yl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1Nc1ccn(C)n1
InChIInChI=1S/C12H14N4O2/c1-3-18-12(17)9-5-4-7-13-11(9)14-10-6-8-16(2)15-10/h4-8H,3H2,1-2H3,(H,13,14,15)
InChIKeyLRKNUKDJVLVIGQ-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.74
Rot. Bonds4

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

ethyl 2-[(1-methylpyrazol-3-yl)amino]pyridine-3-carboxylate (PubChem CID 79778395) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is ethyl 2-[(1-methylpyrazol-3-yl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(1-methylpyrazol-3-yl)amino]pyridine-3-carboxylate
PubChem CID79778395
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Nameethyl 2-[(1-methylpyrazol-3-yl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1Nc1ccn(C)n1
InChIInChI=1S/C12H14N4O2/c1-3-18-12(17)9-5-4-7-13-11(9)14-10-6-8-16(2)15-10/h4-8H,3H2,1-2H3,(H,13,14,15)
InChIKeyLRKNUKDJVLVIGQ-UHFFFAOYSA-N
XLogP1.74
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
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ethyl 2-(2-methylsulfinylethylamino)pyridine-3-carboxylate
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3-[(3-ethoxycarbonyl-2-pyridinyl)amino]benzoic acid
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ethyl 2-(3-methylpentan-2-ylamino)pyridine-3-carboxylate
CID 54950402
ethyl 2-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate
CID 43310600
ethyl 2-(2,2-difluoroethylamino)pyridine-3-carboxylate
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CID 113414922

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-methylpyrazol-3-yl)amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[(1-methylpyrazol-3-yl)amino]pyridine-3-carboxylate (CID 79778395) is ethyl 2-[(1-methylpyrazol-3-yl)amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[(1-methylpyrazol-3-yl)amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[(1-methylpyrazol-3-yl)amino]pyridine-3-carboxylate is CCOC(=O)c1cccnc1Nc1ccn(C)n1.
What is the InChIKey of ethyl 2-[(1-methylpyrazol-3-yl)amino]pyridine-3-carboxylate?
The InChIKey is LRKNUKDJVLVIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-3-18-12(17)9-5-4-7-13-11(9)14-10-6-8-16(2)15-10/h4-8H,3H2,1-2H3,(H,13,14,15).
What are the key properties of ethyl 2-[(1-methylpyrazol-3-yl)amino]pyridine-3-carboxylate?
ethyl 2-[(1-methylpyrazol-3-yl)amino]pyridine-3-carboxylate has a molecular weight of 246.27 g/mol, XLogP of 1.74, 4 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)amino]pyridine-3-carboxylate is sourced from PubChem (CID 79778395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).