N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-4-methoxy-2-methylbenzamide

C20H24N2O4 — CID 91778211

IUPACN-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-4-methoxy-2-methylbenzamide
SMILESCOc1ccc(C(=O)NC(c2ccc(OC)nc2)C2CC(O)C2)c(C)c1
InChIInChI=1S/C20H24N2O4/c1-12-8-16(25-2)5-6-17(12)20(24)22-19(14-9-15(23)10-14)13-4-7-18(26-3)21-11-13/h4-8,11,14-15,19,23H,9-10H2,1-3H3,(H,22,24)
InChIKeyVDQKJMWFHJAVFR-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.65
Rot. Bonds6

About N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-4-methoxy-2-methylbenzamide

N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-4-methoxy-2-methylbenzamide (PubChem CID 91778211) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-4-methoxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-4-methoxy-2-methylbenzamide
PubChem CID91778211
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-4-methoxy-2-methylbenzamide
SMILESCOc1ccc(C(=O)NC(c2ccc(OC)nc2)C2CC(O)C2)c(C)c1
InChIInChI=1S/C20H24N2O4/c1-12-8-16(25-2)5-6-17(12)20(24)22-19(14-9-15(23)10-14)13-4-7-18(26-3)21-11-13/h4-8,11,14-15,19,23H,9-10H2,1-3H3,(H,22,24)
InChIKeyVDQKJMWFHJAVFR-UHFFFAOYSA-N
XLogP2.65
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-methylpyridine-3-carboxamide
CID 91784748
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-4-methoxy-2-methylbenzamide
CID 91762064
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-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
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]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 91760613
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide
CID 91787030
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-pyrazol-1-ylbenzamide
CID 91785186
2,3-difluoro-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-methoxybenzamide
CID 91768425
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]quinoxaline-2-carboxamide
CID 91786632

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-4-methoxy-2-methylbenzamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-4-methoxy-2-methylbenzamide (CID 91778211) is N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-4-methoxy-2-methylbenzamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-4-methoxy-2-methylbenzamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-4-methoxy-2-methylbenzamide is COc1ccc(C(=O)NC(c2ccc(OC)nc2)C2CC(O)C2)c(C)c1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-4-methoxy-2-methylbenzamide?
The InChIKey is VDQKJMWFHJAVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-12-8-16(25-2)5-6-17(12)20(24)22-19(14-9-15(23)10-14)13-4-7-18(26-3)21-11-13/h4-8,11,14-15,19,23H,9-10H2,1-3H3,(H,22,24).
What are the key properties of N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-4-methoxy-2-methylbenzamide?
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-4-methoxy-2-methylbenzamide has a molecular weight of 356.42 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-4-methoxy-2-methylbenzamide is sourced from PubChem (CID 91778211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).