(1,3,5-trimethylpyrazol-4-yl) 6-(propan-2-ylamino)pyridine-2-carboxylate

C15H20N4O2 — CID 115498845

IUPAC(1,3,5-trimethylpyrazol-4-yl) 6-(propan-2-ylamino)pyridine-2-carboxylate
SMILESCc1nn(C)c(C)c1OC(=O)c1cccc(NC(C)C)n1
InChIInChI=1S/C15H20N4O2/c1-9(2)16-13-8-6-7-12(17-13)15(20)21-14-10(3)18-19(5)11(14)4/h6-9H,1-5H3,(H,16,17)
InChIKeyLYQOOTNWTQGXCP-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.47
Rot. Bonds4

About (1,3,5-trimethylpyrazol-4-yl) 6-(propan-2-ylamino)pyridine-2-carboxylate

(1,3,5-trimethylpyrazol-4-yl) 6-(propan-2-ylamino)pyridine-2-carboxylate (PubChem CID 115498845) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (1,3,5-trimethylpyrazol-4-yl) 6-(propan-2-ylamino)pyridine-2-carboxylate.

Molecular Properties

Compound Name(1,3,5-trimethylpyrazol-4-yl) 6-(propan-2-ylamino)pyridine-2-carboxylate
PubChem CID115498845
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name(1,3,5-trimethylpyrazol-4-yl) 6-(propan-2-ylamino)pyridine-2-carboxylate
SMILESCc1nn(C)c(C)c1OC(=O)c1cccc(NC(C)C)n1
InChIInChI=1S/C15H20N4O2/c1-9(2)16-13-8-6-7-12(17-13)15(20)21-14-10(3)18-19(5)11(14)4/h6-9H,1-5H3,(H,16,17)
InChIKeyLYQOOTNWTQGXCP-UHFFFAOYSA-N
XLogP2.47
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3,5-dimethylphenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498721
(4,5-dimethylimidazol-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 115498575
(2-ethylphenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498775
(1-propan-2-ylpyrazol-4-yl) 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 116803064
(3-ethylphenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498680
propyl 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498670
2-piperidin-1-ylethyl 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498736
(1,3,5-trimethylpyrazol-4-yl) 1H-indole-2-carboxylate
CID 154467719
2-cyclobutylethyl 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 106205643
1-[4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 84570333
(1,3,5-trimethylpyrazol-4-yl) 4-(2,2-difluoroethoxy)pyridine-2-carboxylate
CID 75498672
N-ethyl-N-(1-methoxypropan-2-yl)-6-(propan-2-ylamino)pyridine-2-carboxamide
CID 115498270

Frequently Asked Questions

What is the IUPAC name of (1,3,5-trimethylpyrazol-4-yl) 6-(propan-2-ylamino)pyridine-2-carboxylate?
The IUPAC name of (1,3,5-trimethylpyrazol-4-yl) 6-(propan-2-ylamino)pyridine-2-carboxylate (CID 115498845) is (1,3,5-trimethylpyrazol-4-yl) 6-(propan-2-ylamino)pyridine-2-carboxylate.
What is the SMILES notation for (1,3,5-trimethylpyrazol-4-yl) 6-(propan-2-ylamino)pyridine-2-carboxylate?
The canonical SMILES for (1,3,5-trimethylpyrazol-4-yl) 6-(propan-2-ylamino)pyridine-2-carboxylate is Cc1nn(C)c(C)c1OC(=O)c1cccc(NC(C)C)n1.
What is the InChIKey of (1,3,5-trimethylpyrazol-4-yl) 6-(propan-2-ylamino)pyridine-2-carboxylate?
The InChIKey is LYQOOTNWTQGXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-9(2)16-13-8-6-7-12(17-13)15(20)21-14-10(3)18-19(5)11(14)4/h6-9H,1-5H3,(H,16,17).
What are the key properties of (1,3,5-trimethylpyrazol-4-yl) 6-(propan-2-ylamino)pyridine-2-carboxylate?
(1,3,5-trimethylpyrazol-4-yl) 6-(propan-2-ylamino)pyridine-2-carboxylate has a molecular weight of 288.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3,5-trimethylpyrazol-4-yl) 6-(propan-2-ylamino)pyridine-2-carboxylate is sourced from PubChem (CID 115498845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).