1-cyclobutylpropan-2-ol;2,3-difluorophenol;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide

C25H33F2N3O5 — CID 166159495

IUPAC1-cyclobutylpropan-2-ol;2,3-difluorophenol;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
SMILESCC(O)CC1CCC1.CC1CCC(C(=O)Nc2ccnc(C(N)=O)c2)O1.Oc1cccc(F)c1F
InChIInChI=1S/C12H15N3O3.C7H14O.C6H4F2O/c1-7-2-3-10(18-7)12(17)15-8-4-5-14-9(6-8)11(13)16;1-6(8)5-7-3-2-4-7;7-4-2-1-3-5(9)6(4)8/h4-7,10H,2-3H2,1H3,(H2,13,16)(H,14,15,17);6-8H,2-5H2,1H3;1-3,9H
InChIKeyPNHLRMQVSORGIR-UHFFFAOYSA-N
MW493.55 g/mol
LogP3.91
Rot. Bonds5

About 1-cyclobutylpropan-2-ol;2,3-difluorophenol;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide

1-cyclobutylpropan-2-ol;2,3-difluorophenol;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide (PubChem CID 166159495) has the molecular formula C25H33F2N3O5 and a molecular weight of 493.55 g/mol. Its IUPAC name is 1-cyclobutylpropan-2-ol;2,3-difluorophenol;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name1-cyclobutylpropan-2-ol;2,3-difluorophenol;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
PubChem CID166159495
Molecular FormulaC25H33F2N3O5
Molecular Weight493.55 g/mol
Exact Mass493.24
IUPAC Name1-cyclobutylpropan-2-ol;2,3-difluorophenol;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
SMILESCC(O)CC1CCC1.CC1CCC(C(=O)Nc2ccnc(C(N)=O)c2)O1.Oc1cccc(F)c1F
InChIInChI=1S/C12H15N3O3.C7H14O.C6H4F2O/c1-7-2-3-10(18-7)12(17)15-8-4-5-14-9(6-8)11(13)16;1-6(8)5-7-3-2-4-7;7-4-2-1-3-5(9)6(4)8/h4-7,10H,2-3H2,1H3,(H2,13,16)(H,14,15,17);6-8H,2-5H2,1H3;1-3,9H
InChIKeyPNHLRMQVSORGIR-UHFFFAOYSA-N
XLogP3.91
TPSA134.77 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.55
LogP ≤ 53.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-cyclobutylpropan-2-ol;2,3-difluorophenol;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide with MolForge

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Related Compounds

1-cyclobutyloxy-2,3-difluorobenzene;formonitrile;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159830
3-(2-fluorophenoxy)-N-propan-2-ylpropan-1-amine;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 178082658
1-fluoro-3-methylbenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 178083049
3-[(2,3-difluorophenoxy)methyl]-3-fluorooxetane;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159913
3-[(2,3-difluorophenoxy)methyl]-3-fluoro-1-methylazetidine;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159908
ethane;3-[2-(2-fluorophenoxy)ethoxy]-N-propan-2-ylpropan-1-amine;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 178082673
1-(cyclopropylmethoxy)-2-fluoro-3-methoxybenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159794
1-cyclopropyloxy-3-fluorobenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 177357775
5-[(2,3-difluorophenoxy)methyl]-1-methylimidazole;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159394
1-(difluoromethoxy)-2,3-difluorobenzene;methyl 4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxylate
CID 177358357
1,2-difluoro-3-methoxybenzene;4-(oxolane-2-carbonylamino)pyridine-2-carboxamide
CID 156750201
4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide;(NE)-N-[1-[2-(trifluoromethyl)phenoxy]propan-2-ylidene]hydroxylamine
CID 166159319

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutylpropan-2-ol;2,3-difluorophenol;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide?
The IUPAC name of 1-cyclobutylpropan-2-ol;2,3-difluorophenol;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide (CID 166159495) is 1-cyclobutylpropan-2-ol;2,3-difluorophenol;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide.
What is the SMILES notation for 1-cyclobutylpropan-2-ol;2,3-difluorophenol;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide?
The canonical SMILES for 1-cyclobutylpropan-2-ol;2,3-difluorophenol;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide is CC(O)CC1CCC1.CC1CCC(C(=O)Nc2ccnc(C(N)=O)c2)O1.Oc1cccc(F)c1F.
What is the InChIKey of 1-cyclobutylpropan-2-ol;2,3-difluorophenol;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide?
The InChIKey is PNHLRMQVSORGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3.C7H14O.C6H4F2O/c1-7-2-3-10(18-7)12(17)15-8-4-5-14-9(6-8)11(13)16;1-6(8)5-7-3-2-4-7;7-4-2-1-3-5(9)6(4)8/h4-7,10H,2-3H2,1H3,(H2,13,16)(H,14,15,17);6-8H,2-5H2,1H3;1-3,9H.
What are the key properties of 1-cyclobutylpropan-2-ol;2,3-difluorophenol;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide?
1-cyclobutylpropan-2-ol;2,3-difluorophenol;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide has a molecular weight of 493.55 g/mol, XLogP of 3.91, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylpropan-2-ol;2,3-difluorophenol;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 166159495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).