methyl 3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate

C16H20N4O3 — CID 118969788

IUPACmethyl 3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1Nc1cn(C2CCOCC2)nc1C
InChIInChI=1S/C16H20N4O3/c1-11-15(10-20(19-11)12-4-7-23-8-5-12)18-14-9-17-6-3-13(14)16(21)22-2/h3,6,9-10,12,18H,4-5,7-8H2,1-2H3
InChIKeyWRWYDUSFLSLKJR-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.47
Rot. Bonds4

About methyl 3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate

methyl 3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate (PubChem CID 118969788) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is methyl 3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate
PubChem CID118969788
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Namemethyl 3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1Nc1cn(C2CCOCC2)nc1C
InChIInChI=1S/C16H20N4O3/c1-11-15(10-20(19-11)12-4-7-23-8-5-12)18-14-9-17-6-3-13(14)16(21)22-2/h3,6,9-10,12,18H,4-5,7-8H2,1-2H3
InChIKeyWRWYDUSFLSLKJR-UHFFFAOYSA-N
XLogP2.47
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate with MolForge

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Related Compounds

ethyl 1-phenyl-5-pyridin-4-yl-1H-pyrazole-4-carboxylate
CID 20855126
benzyl 1-phenyl-3-(4-pyridinyl)-1H-pyrazole-4-carboxylate
CID 1288496
Ethyl 1-phenyl-3-pyridin-4-ylpyrazole-4-carboxylate
CID 2121566
3-[[Cyclohexylcarbamoyl-(1,3-dimethyl-1H-pyrazol-4-yl)-methyl]-(pyrazine-2-carbonyl)-amino]-benzoic acid methyl ester
CID 3185081
3-(1H-pyrazol-5-ylmethylamino)pyridine-4-carboxylic acid
CID 127030808
ethyl 1-(3-{[(isopropylamino)carbonyl]amino}-2-pyridyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate
CID 2740958
methyl 1-phenyl-3-(4-pyridinyl)-1H-pyrazole-4-carboxylate
CID 2766505
Ethyl 2-(1-methylpyrazol-3-yl)pyridine-3-carboxylate
CID 121372084
US9586948, Example 27
CID 117872557
US9586948, Example 30
CID 117872721
Ethyl 1-(3-amino-2-pyridinyl)-3,5-dimethylpyrazole-4-carboxylate
CID 2740937
N-(6-methoxy-3-pyridinyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 36769249

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate?
The IUPAC name of methyl 3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate (CID 118969788) is methyl 3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate is COC(=O)c1ccncc1Nc1cn(C2CCOCC2)nc1C.
What is the InChIKey of methyl 3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate?
The InChIKey is WRWYDUSFLSLKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-11-15(10-20(19-11)12-4-7-23-8-5-12)18-14-9-17-6-3-13(14)16(21)22-2/h3,6,9-10,12,18H,4-5,7-8H2,1-2H3.
What are the key properties of methyl 3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate?
methyl 3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate has a molecular weight of 316.36 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate is sourced from PubChem (CID 118969788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).