ethyl 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-6-methylpyridine-2-carboxylate

C16H20N4O2 — CID 69236257

IUPACethyl 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-6-methylpyridine-2-carboxylate
SMILESCCOC(=O)c1nc(C)ccc1Nc1cc(C2CC2)nn1C
InChIInChI=1S/C16H20N4O2/c1-4-22-16(21)15-12(8-5-10(2)17-15)18-14-9-13(11-6-7-11)19-20(14)3/h5,8-9,11,18H,4,6-7H2,1-3H3
InChIKeyOZXGMVOUQMDSAX-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.92
Rot. Bonds5

About ethyl 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-6-methylpyridine-2-carboxylate

ethyl 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-6-methylpyridine-2-carboxylate (PubChem CID 69236257) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is ethyl 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-6-methylpyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-6-methylpyridine-2-carboxylate
PubChem CID69236257
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Nameethyl 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-6-methylpyridine-2-carboxylate
SMILESCCOC(=O)c1nc(C)ccc1Nc1cc(C2CC2)nn1C
InChIInChI=1S/C16H20N4O2/c1-4-22-16(21)15-12(8-5-10(2)17-15)18-14-9-13(11-6-7-11)19-20(14)3/h5,8-9,11,18H,4,6-7H2,1-3H3
InChIKeyOZXGMVOUQMDSAX-UHFFFAOYSA-N
XLogP2.92
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-6-methylpyridine-2-carboxylate?
The IUPAC name of ethyl 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-6-methylpyridine-2-carboxylate (CID 69236257) is ethyl 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-6-methylpyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-6-methylpyridine-2-carboxylate?
The canonical SMILES for ethyl 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-6-methylpyridine-2-carboxylate is CCOC(=O)c1nc(C)ccc1Nc1cc(C2CC2)nn1C.
What is the InChIKey of ethyl 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-6-methylpyridine-2-carboxylate?
The InChIKey is OZXGMVOUQMDSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-4-22-16(21)15-12(8-5-10(2)17-15)18-14-9-13(11-6-7-11)19-20(14)3/h5,8-9,11,18H,4,6-7H2,1-3H3.
What are the key properties of ethyl 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-6-methylpyridine-2-carboxylate?
ethyl 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-6-methylpyridine-2-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-6-methylpyridine-2-carboxylate is sourced from PubChem (CID 69236257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).