N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3,4-dimethylbenzamide

C19H22N2O2 — CID 91773593

IUPACN-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC(c2ccccn2)C2CC(O)C2)cc1C
InChIInChI=1S/C19H22N2O2/c1-12-6-7-14(9-13(12)2)19(23)21-18(15-10-16(22)11-15)17-5-3-4-8-20-17/h3-9,15-16,18,22H,10-11H2,1-2H3,(H,21,23)
InChIKeyPLUUGAJUZBLQTO-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.94
Rot. Bonds4

About N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3,4-dimethylbenzamide

N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3,4-dimethylbenzamide (PubChem CID 91773593) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3,4-dimethylbenzamide
PubChem CID91773593
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC(c2ccccn2)C2CC(O)C2)cc1C
InChIInChI=1S/C19H22N2O2/c1-12-6-7-14(9-13(12)2)19(23)21-18(15-10-16(22)11-15)17-5-3-4-8-20-17/h3-9,15-16,18,22H,10-11H2,1-2H3,(H,21,23)
InChIKeyPLUUGAJUZBLQTO-UHFFFAOYSA-N
XLogP2.94
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
CID 91785303
3-(dimethylamino)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]benzamide
CID 91794811
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]tetrazolo[1,5-a]pyridine-7-carboxamide
CID 91759644
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1-(2-hydroxyethyl)benzimidazole-5-carboxamide
CID 91769261
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2,3-dimethoxybenzamide
CID 91789954
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 91780244
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]quinoline-2-carboxamide
CID 91787622
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
3-amino-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1,2-thiazole-4-carboxamide
CID 91787083
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 91792638
2-(4-chloro-2-methylphenoxy)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]acetamide
CID 91797524

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3,4-dimethylbenzamide (CID 91773593) is N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NC(c2ccccn2)C2CC(O)C2)cc1C.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3,4-dimethylbenzamide?
The InChIKey is PLUUGAJUZBLQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-12-6-7-14(9-13(12)2)19(23)21-18(15-10-16(22)11-15)17-5-3-4-8-20-17/h3-9,15-16,18,22H,10-11H2,1-2H3,(H,21,23).
What are the key properties of N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3,4-dimethylbenzamide?
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3,4-dimethylbenzamide has a molecular weight of 310.40 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 91773593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).