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

C13H16N4O2 — CID 106105292

IUPACmethyl 2-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(NCCc2ccn(C)n2)c1
InChIInChI=1S/C13H16N4O2/c1-17-8-5-11(16-17)4-7-15-12-9-10(3-6-14-12)13(18)19-2/h3,5-6,8-9H,4,7H2,1-2H3,(H,14,15)
InChIKeyVEYRRPXJSMWMEA-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.26
Rot. Bonds5

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

methyl 2-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-4-carboxylate (PubChem CID 106105292) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is methyl 2-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-4-carboxylate
PubChem CID106105292
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Namemethyl 2-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(NCCc2ccn(C)n2)c1
InChIInChI=1S/C13H16N4O2/c1-17-8-5-11(16-17)4-7-15-12-9-10(3-6-14-12)13(18)19-2/h3,5-6,8-9H,4,7H2,1-2H3,(H,14,15)
InChIKeyVEYRRPXJSMWMEA-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(2-aminoethylamino)pyridine-4-carboxylate
CID 83830934
N-[2-(1-methylpyrazol-3-yl)ethyl]-4-nitropyridin-2-amine
CID 106105408
2-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-4-carboxylic acid
CID 106105316
2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid
CID 83834716
2-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-4-sulfonamide
CID 106106320
methyl 2-(phosphanylamino)pyridine-4-carboxylate
CID 22084632
2-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-4-amine
CID 104626521
methyl 2-(propanoylamino)pyridine-4-carboxylate
CID 67508364
2-[2-(1-methylpyrazol-3-yl)ethylamino]acetic acid
CID 106104698
N-[2-(1-methylpyrazol-3-yl)ethyl]pyridazin-3-amine
CID 104626500
1-[4-[2-(1-methylpyrazol-3-yl)ethylamino]phenyl]propan-1-one
CID 106105494
3-methyl-4-[2-(1-methylpyrazol-3-yl)ethylamino]benzoic acid
CID 106105331

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-4-carboxylate?
The IUPAC name of methyl 2-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-4-carboxylate (CID 106105292) is methyl 2-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-4-carboxylate is COC(=O)c1ccnc(NCCc2ccn(C)n2)c1.
What is the InChIKey of methyl 2-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-4-carboxylate?
The InChIKey is VEYRRPXJSMWMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-17-8-5-11(16-17)4-7-15-12-9-10(3-6-14-12)13(18)19-2/h3,5-6,8-9H,4,7H2,1-2H3,(H,14,15).
What are the key properties of methyl 2-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-4-carboxylate?
methyl 2-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-4-carboxylate has a molecular weight of 260.30 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-4-carboxylate is sourced from PubChem (CID 106105292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).