2,3-difluoro-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-methoxybenzamide

C19H20F2N2O4 — CID 91768425

IUPAC2,3-difluoro-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-methoxybenzamide
SMILESCOc1ccc(C(NC(=O)c2c(OC)ccc(F)c2F)C2CC(O)C2)cn1
InChIInChI=1S/C19H20F2N2O4/c1-26-14-5-4-13(20)17(21)16(14)19(25)23-18(11-7-12(24)8-11)10-3-6-15(27-2)22-9-10/h3-6,9,11-12,18,24H,7-8H2,1-2H3,(H,23,25)
InChIKeyLGVUEMRPVLNUPT-UHFFFAOYSA-N
MW378.38 g/mol
LogP2.62
Rot. Bonds6

About 2,3-difluoro-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-methoxybenzamide

2,3-difluoro-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-methoxybenzamide (PubChem CID 91768425) has the molecular formula C19H20F2N2O4 and a molecular weight of 378.38 g/mol. Its IUPAC name is 2,3-difluoro-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-methoxybenzamide.

Molecular Properties

Compound Name2,3-difluoro-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-methoxybenzamide
PubChem CID91768425
Molecular FormulaC19H20F2N2O4
Molecular Weight378.38 g/mol
Exact Mass378.14
IUPAC Name2,3-difluoro-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-methoxybenzamide
SMILESCOc1ccc(C(NC(=O)c2c(OC)ccc(F)c2F)C2CC(O)C2)cn1
InChIInChI=1S/C19H20F2N2O4/c1-26-14-5-4-13(20)17(21)16(14)19(25)23-18(11-7-12(24)8-11)10-3-6-15(27-2)22-9-10/h3-6,9,11-12,18,24H,7-8H2,1-2H3,(H,23,25)
InChIKeyLGVUEMRPVLNUPT-UHFFFAOYSA-N
XLogP2.62
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-difluorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide
CID 91783663
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-methylpyridine-3-carboxamide
CID 91784748
2-(2-fluorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide
CID 91790696
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 91772790
2-(4-chlorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide
CID 91760458
2-(2,4-difluorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide
CID 91785366
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]quinoxaline-2-carboxamide
CID 91786632
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-4-methoxy-2-methylbenzamide
CID 91778211
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-3-oxo-1,2-oxazole-5-carboxamide
CID 91774198
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-(methylamino)pyridine-3-carboxamide
CID 91796938
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]quinoxaline-5-carboxamide
CID 91792010
N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-2-(methylamino)pyrimidine-5-carboxamide
CID 91769864

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-methoxybenzamide?
The IUPAC name of 2,3-difluoro-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-methoxybenzamide (CID 91768425) is 2,3-difluoro-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-methoxybenzamide.
What is the SMILES notation for 2,3-difluoro-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-methoxybenzamide?
The canonical SMILES for 2,3-difluoro-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-methoxybenzamide is COc1ccc(C(NC(=O)c2c(OC)ccc(F)c2F)C2CC(O)C2)cn1.
What is the InChIKey of 2,3-difluoro-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-methoxybenzamide?
The InChIKey is LGVUEMRPVLNUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O4/c1-26-14-5-4-13(20)17(21)16(14)19(25)23-18(11-7-12(24)8-11)10-3-6-15(27-2)22-9-10/h3-6,9,11-12,18,24H,7-8H2,1-2H3,(H,23,25).
What are the key properties of 2,3-difluoro-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-methoxybenzamide?
2,3-difluoro-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-methoxybenzamide has a molecular weight of 378.38 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-methoxybenzamide is sourced from PubChem (CID 91768425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).