1,2-difluoro-3-methoxybenzene;4-(oxolane-2-carbonylamino)pyridine-2-carboxamide

C18H19F2N3O4 — CID 156750201

IUPAC1,2-difluoro-3-methoxybenzene;4-(oxolane-2-carbonylamino)pyridine-2-carboxamide
SMILESCOc1cccc(F)c1F.NC(=O)c1cc(NC(=O)C2CCCO2)ccn1
InChIInChI=1S/C11H13N3O3.C7H6F2O/c12-10(15)8-6-7(3-4-13-8)14-11(16)9-2-1-5-17-9;1-10-6-4-2-3-5(8)7(6)9/h3-4,6,9H,1-2,5H2,(H2,12,15)(H,13,14,16);2-4H,1H3
InChIKeyUZKOTYPDZHYIEO-UHFFFAOYSA-N
MW379.36 g/mol
LogP2.27
Rot. Bonds4

About 1,2-difluoro-3-methoxybenzene;4-(oxolane-2-carbonylamino)pyridine-2-carboxamide

1,2-difluoro-3-methoxybenzene;4-(oxolane-2-carbonylamino)pyridine-2-carboxamide (PubChem CID 156750201) has the molecular formula C18H19F2N3O4 and a molecular weight of 379.36 g/mol. Its IUPAC name is 1,2-difluoro-3-methoxybenzene;4-(oxolane-2-carbonylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name1,2-difluoro-3-methoxybenzene;4-(oxolane-2-carbonylamino)pyridine-2-carboxamide
PubChem CID156750201
Molecular FormulaC18H19F2N3O4
Molecular Weight379.36 g/mol
Exact Mass379.13
IUPAC Name1,2-difluoro-3-methoxybenzene;4-(oxolane-2-carbonylamino)pyridine-2-carboxamide
SMILESCOc1cccc(F)c1F.NC(=O)c1cc(NC(=O)C2CCCO2)ccn1
InChIInChI=1S/C11H13N3O3.C7H6F2O/c12-10(15)8-6-7(3-4-13-8)14-11(16)9-2-1-5-17-9;1-10-6-4-2-3-5(8)7(6)9/h3-4,6,9H,1-2,5H2,(H2,12,15)(H,13,14,16);2-4H,1H3
InChIKeyUZKOTYPDZHYIEO-UHFFFAOYSA-N
XLogP2.27
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclobutyloxy-2,3-difluorobenzene;formonitrile;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159830
1-(cyclopropylmethoxy)-2-fluoro-3-methoxybenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159794
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
1,2-difluoro-3-methoxybenzene;5-methyl-N-[2-(methylamino)-4-pyridinyl]oxolane-2-carboxamide
CID 166161077
1,2-difluoro-3-methoxybenzene;N-(2-sulfinamoyl-4-pyridinyl)oxane-3-carboxamide
CID 177192655
N-[2-(3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine-4-carbonyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide;1,2-difluoro-3-methoxybenzene
CID 166159273
5-[(2,3-difluorophenoxy)methyl]-1-methylimidazole;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159394
(2R)-N-(3-methoxyphenyl)oxolane-2-carboxamide
CID 898392
1,2-difluoro-3-methoxybenzene;ethane;N-[2-[2-(methylamino)ethoxy]ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 177357824
1,2-difluoro-3-methoxybenzene;ethane;4-[methyl-(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 177358249
1-(difluoromethoxy)-2,3-difluorobenzene;methyl 4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxylate
CID 177358357

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-methoxybenzene;4-(oxolane-2-carbonylamino)pyridine-2-carboxamide?
The IUPAC name of 1,2-difluoro-3-methoxybenzene;4-(oxolane-2-carbonylamino)pyridine-2-carboxamide (CID 156750201) is 1,2-difluoro-3-methoxybenzene;4-(oxolane-2-carbonylamino)pyridine-2-carboxamide.
What is the SMILES notation for 1,2-difluoro-3-methoxybenzene;4-(oxolane-2-carbonylamino)pyridine-2-carboxamide?
The canonical SMILES for 1,2-difluoro-3-methoxybenzene;4-(oxolane-2-carbonylamino)pyridine-2-carboxamide is COc1cccc(F)c1F.NC(=O)c1cc(NC(=O)C2CCCO2)ccn1.
What is the InChIKey of 1,2-difluoro-3-methoxybenzene;4-(oxolane-2-carbonylamino)pyridine-2-carboxamide?
The InChIKey is UZKOTYPDZHYIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3.C7H6F2O/c12-10(15)8-6-7(3-4-13-8)14-11(16)9-2-1-5-17-9;1-10-6-4-2-3-5(8)7(6)9/h3-4,6,9H,1-2,5H2,(H2,12,15)(H,13,14,16);2-4H,1H3.
What are the key properties of 1,2-difluoro-3-methoxybenzene;4-(oxolane-2-carbonylamino)pyridine-2-carboxamide?
1,2-difluoro-3-methoxybenzene;4-(oxolane-2-carbonylamino)pyridine-2-carboxamide has a molecular weight of 379.36 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-methoxybenzene;4-(oxolane-2-carbonylamino)pyridine-2-carboxamide is sourced from PubChem (CID 156750201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).