1-cyclopropyloxy-3-fluorobenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide

C21H24FN3O4 — CID 177357775

IUPAC1-cyclopropyloxy-3-fluorobenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
SMILESCC1CCC(C(=O)Nc2ccnc(C(N)=O)c2)O1.Fc1cccc(OC2CC2)c1
InChIInChI=1S/C12H15N3O3.C9H9FO/c1-7-2-3-10(18-7)12(17)15-8-4-5-14-9(6-8)11(13)16;10-7-2-1-3-9(6-7)11-8-4-5-8/h4-7,10H,2-3H2,1H3,(H2,13,16)(H,14,15,17);1-3,6,8H,4-5H2
InChIKeyASHWEIDBLDUBQJ-UHFFFAOYSA-N
MW401.44 g/mol
LogP3.05
Rot. Bonds5

About 1-cyclopropyloxy-3-fluorobenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide

1-cyclopropyloxy-3-fluorobenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide (PubChem CID 177357775) has the molecular formula C21H24FN3O4 and a molecular weight of 401.44 g/mol. Its IUPAC name is 1-cyclopropyloxy-3-fluorobenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name1-cyclopropyloxy-3-fluorobenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
PubChem CID177357775
Molecular FormulaC21H24FN3O4
Molecular Weight401.44 g/mol
Exact Mass401.18
IUPAC Name1-cyclopropyloxy-3-fluorobenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
SMILESCC1CCC(C(=O)Nc2ccnc(C(N)=O)c2)O1.Fc1cccc(OC2CC2)c1
InChIInChI=1S/C12H15N3O3.C9H9FO/c1-7-2-3-10(18-7)12(17)15-8-4-5-14-9(6-8)11(13)16;10-7-2-1-3-9(6-7)11-8-4-5-8/h4-7,10H,2-3H2,1H3,(H2,13,16)(H,14,15,17);1-3,6,8H,4-5H2
InChIKeyASHWEIDBLDUBQJ-UHFFFAOYSA-N
XLogP3.05
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-fluoro-3-methylbenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 178083049
1-cyclopropyloxy-3-fluorobenzene;ethane;N-[2-(methylamino)ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 177358071
1-cyclobutyloxy-2,3-difluorobenzene;formonitrile;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159830
1-cyclopropyloxy-3-fluorobenzene;ethane;4-[2-(3-hydrazinylpropoxy)ethyl-(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 177358064
1-(cyclopropylmethoxy)-2-fluoro-3-methoxybenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159794
1-fluoro-3-methoxybenzene;N-[3-(methylamino)propyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide;propane
CID 178082732
3-[(2,3-difluorophenoxy)methyl]-3-fluorooxetane;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159913
1-cyclobutylpropan-2-ol;2,3-difluorophenol;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159495
3-[(2,3-difluorophenoxy)methyl]-3-fluoro-1-methylazetidine;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159908
3-(2-fluorophenoxy)-N-propan-2-ylpropan-1-amine;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 178082658
5-[(2,3-difluorophenoxy)methyl]-1-methylimidazole;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159394
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-cyclopropyloxy-3-fluorobenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide?
The IUPAC name of 1-cyclopropyloxy-3-fluorobenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide (CID 177357775) is 1-cyclopropyloxy-3-fluorobenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide.
What is the SMILES notation for 1-cyclopropyloxy-3-fluorobenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide?
The canonical SMILES for 1-cyclopropyloxy-3-fluorobenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide is CC1CCC(C(=O)Nc2ccnc(C(N)=O)c2)O1.Fc1cccc(OC2CC2)c1.
What is the InChIKey of 1-cyclopropyloxy-3-fluorobenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide?
The InChIKey is ASHWEIDBLDUBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3.C9H9FO/c1-7-2-3-10(18-7)12(17)15-8-4-5-14-9(6-8)11(13)16;10-7-2-1-3-9(6-7)11-8-4-5-8/h4-7,10H,2-3H2,1H3,(H2,13,16)(H,14,15,17);1-3,6,8H,4-5H2.
What are the key properties of 1-cyclopropyloxy-3-fluorobenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide?
1-cyclopropyloxy-3-fluorobenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide has a molecular weight of 401.44 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyloxy-3-fluorobenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 177357775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).