N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-4-methoxy-2-methylbenzamide

C20H24N2O3 — CID 91771484

IUPACN-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-4-methoxy-2-methylbenzamide
SMILESCOc1ccc(C(=O)NC(Cc2ccncc2)C2CC(O)C2)c(C)c1
InChIInChI=1S/C20H24N2O3/c1-13-9-17(25-2)3-4-18(13)20(24)22-19(15-11-16(23)12-15)10-14-5-7-21-8-6-14/h3-9,15-16,19,23H,10-12H2,1-2H3,(H,22,24)
InChIKeyXZGNFWJIEKQUMU-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.51
Rot. Bonds6

About N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-4-methoxy-2-methylbenzamide

N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-4-methoxy-2-methylbenzamide (PubChem CID 91771484) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-4-methoxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-4-methoxy-2-methylbenzamide
PubChem CID91771484
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-4-methoxy-2-methylbenzamide
SMILESCOc1ccc(C(=O)NC(Cc2ccncc2)C2CC(O)C2)c(C)c1
InChIInChI=1S/C20H24N2O3/c1-13-9-17(25-2)3-4-18(13)20(24)22-19(15-11-16(23)12-15)10-14-5-7-21-8-6-14/h3-9,15-16,19,23H,10-12H2,1-2H3,(H,22,24)
InChIKeyXZGNFWJIEKQUMU-UHFFFAOYSA-N
XLogP2.51
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-methyl-1-benzofuran-7-carboxamide
CID 91773704
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-4-methoxy-2-methylbenzamide
CID 91778211
N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(methylamino)pyridine-4-carboxamide
CID 91763983
N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-1,3-oxazole-5-carboxamide
CID 91764166
2-(1,3-benzodioxol-5-yl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]acetamide
CID 91761671
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-4-methoxy-2-methylbenzamide
CID 91762064
N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(1H-indol-3-yl)acetamide
CID 91777146
1-(4-methoxy-2-methylphenyl)-2-pyridin-4-ylethanamine
CID 65318126
4-methoxy-2-[(4-methoxy-2-methylbenzoyl)amino]butanoic acid
CID 120703108
N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-2-methoxyacetamide
CID 91794448
N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 91781993
N-[(1S)-1-cyclopropyl-2-(3-methoxyphenyl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 97244499

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-4-methoxy-2-methylbenzamide?
The IUPAC name of N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-4-methoxy-2-methylbenzamide (CID 91771484) is N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-4-methoxy-2-methylbenzamide.
What is the SMILES notation for N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-4-methoxy-2-methylbenzamide?
The canonical SMILES for N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-4-methoxy-2-methylbenzamide is COc1ccc(C(=O)NC(Cc2ccncc2)C2CC(O)C2)c(C)c1.
What is the InChIKey of N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-4-methoxy-2-methylbenzamide?
The InChIKey is XZGNFWJIEKQUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-13-9-17(25-2)3-4-18(13)20(24)22-19(15-11-16(23)12-15)10-14-5-7-21-8-6-14/h3-9,15-16,19,23H,10-12H2,1-2H3,(H,22,24).
What are the key properties of N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-4-methoxy-2-methylbenzamide?
N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-4-methoxy-2-methylbenzamide has a molecular weight of 340.42 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-4-methoxy-2-methylbenzamide is sourced from PubChem (CID 91771484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).