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

C19H22FN3O3 — CID 178083049

IUPAC1-fluoro-3-methylbenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
SMILESCC1CCC(C(=O)Nc2ccnc(C(N)=O)c2)O1.Cc1cccc(F)c1
InChIInChI=1S/C12H15N3O3.C7H7F/c1-7-2-3-10(18-7)12(17)15-8-4-5-14-9(6-8)11(13)16;1-6-3-2-4-7(8)5-6/h4-7,10H,2-3H2,1H3,(H2,13,16)(H,14,15,17);2-5H,1H3
InChIKeyDBYWMBOGHVZURN-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.82
Rot. Bonds3

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

1-fluoro-3-methylbenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide (PubChem CID 178083049) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is 1-fluoro-3-methylbenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name1-fluoro-3-methylbenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
PubChem CID178083049
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name1-fluoro-3-methylbenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
SMILESCC1CCC(C(=O)Nc2ccnc(C(N)=O)c2)O1.Cc1cccc(F)c1
InChIInChI=1S/C12H15N3O3.C7H7F/c1-7-2-3-10(18-7)12(17)15-8-4-5-14-9(6-8)11(13)16;1-6-3-2-4-7(8)5-6/h4-7,10H,2-3H2,1H3,(H2,13,16)(H,14,15,17);2-5H,1H3
InChIKeyDBYWMBOGHVZURN-UHFFFAOYSA-N
XLogP2.82
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyloxy-3-fluorobenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 177357775
1-(cyclopropylmethoxy)-2-fluoro-3-methoxybenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159794
1-cyclobutyloxy-2,3-difluorobenzene;formonitrile;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159830
3-[(2,3-difluorophenoxy)methyl]-3-fluorooxetane;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159913
ethane;1-fluoro-3-methylbenzene;N-[3-(methylamino)propyl]formamide;5-methyl-N-(2-methyl-4-pyridinyl)oxolane-2-carboxamide
CID 178082948
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
4-[(4,5-dimethyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 156750138
ethane;3-[2-(2-fluorophenoxy)ethoxy]-N-propan-2-ylpropan-1-amine;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 178082673

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-methylbenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide?
The IUPAC name of 1-fluoro-3-methylbenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide (CID 178083049) is 1-fluoro-3-methylbenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide.
What is the SMILES notation for 1-fluoro-3-methylbenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide?
The canonical SMILES for 1-fluoro-3-methylbenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide is CC1CCC(C(=O)Nc2ccnc(C(N)=O)c2)O1.Cc1cccc(F)c1.
What is the InChIKey of 1-fluoro-3-methylbenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide?
The InChIKey is DBYWMBOGHVZURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3.C7H7F/c1-7-2-3-10(18-7)12(17)15-8-4-5-14-9(6-8)11(13)16;1-6-3-2-4-7(8)5-6/h4-7,10H,2-3H2,1H3,(H2,13,16)(H,14,15,17);2-5H,1H3.
What are the key properties of 1-fluoro-3-methylbenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide?
1-fluoro-3-methylbenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide has a molecular weight of 359.40 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-methylbenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 178083049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).