N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2,3-dimethoxybenzamide

C19H22N2O4 — CID 91789954

IUPACN-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NC(c2ccccn2)C2CC(O)C2)c1OC
InChIInChI=1S/C19H22N2O4/c1-24-16-8-5-6-14(18(16)25-2)19(23)21-17(12-10-13(22)11-12)15-7-3-4-9-20-15/h3-9,12-13,17,22H,10-11H2,1-2H3,(H,21,23)
InChIKeyUSABCZXCBYQCFR-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.34
Rot. Bonds6

About N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2,3-dimethoxybenzamide

N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2,3-dimethoxybenzamide (PubChem CID 91789954) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2,3-dimethoxybenzamide
PubChem CID91789954
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NC(c2ccccn2)C2CC(O)C2)c1OC
InChIInChI=1S/C19H22N2O4/c1-24-16-8-5-6-14(18(16)25-2)19(23)21-17(12-10-13(22)11-12)15-7-3-4-9-20-15/h3-9,12-13,17,22H,10-11H2,1-2H3,(H,21,23)
InChIKeyUSABCZXCBYQCFR-UHFFFAOYSA-N
XLogP2.34
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1,2-thiazole-4-carboxamide
CID 91787083
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3,4-dimethylbenzamide
CID 91773593
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-methoxy-4-methyl-1,3-thiazole-5-carboxamide
CID 91788788
5-ethyl-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1H-pyrazole-4-carboxamide
CID 91768711
2-cyclopropyloxy-N-[cyclopropyl(pyridin-2-yl)methyl]benzamide
CID 138051363
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 91763442
N-[(R)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
CID 92561853
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]quinoline-2-carboxamide
CID 91787622
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-(triazol-2-yl)acetamide
CID 91782416
N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
CID 110228754
N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-methoxybenzamide
CID 98135958
N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methoxybenzamide
CID 110229241

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2,3-dimethoxybenzamide (CID 91789954) is N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)NC(c2ccccn2)C2CC(O)C2)c1OC.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2,3-dimethoxybenzamide?
The InChIKey is USABCZXCBYQCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-24-16-8-5-6-14(18(16)25-2)19(23)21-17(12-10-13(22)11-12)15-7-3-4-9-20-15/h3-9,12-13,17,22H,10-11H2,1-2H3,(H,21,23).
What are the key properties of N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2,3-dimethoxybenzamide?
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2,3-dimethoxybenzamide has a molecular weight of 342.40 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 91789954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).