3-(dimethylamino)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]benzamide

C19H23N3O2 — CID 91794811

IUPAC3-(dimethylamino)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]benzamide
SMILESCN(C)c1cccc(C(=O)NC(c2ccccn2)C2CC(O)C2)c1
InChIInChI=1S/C19H23N3O2/c1-22(2)15-7-5-6-13(10-15)19(24)21-18(14-11-16(23)12-14)17-8-3-4-9-20-17/h3-10,14,16,18,23H,11-12H2,1-2H3,(H,21,24)
InChIKeyLMVDCRBPVFAYJB-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.39
Rot. Bonds5

About 3-(dimethylamino)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]benzamide

3-(dimethylamino)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]benzamide (PubChem CID 91794811) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]benzamide
PubChem CID91794811
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-(dimethylamino)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]benzamide
SMILESCN(C)c1cccc(C(=O)NC(c2ccccn2)C2CC(O)C2)c1
InChIInChI=1S/C19H23N3O2/c1-22(2)15-7-5-6-13(10-15)19(24)21-18(14-11-16(23)12-14)17-8-3-4-9-20-17/h3-10,14,16,18,23H,11-12H2,1-2H3,(H,21,24)
InChIKeyLMVDCRBPVFAYJB-UHFFFAOYSA-N
XLogP2.39
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]benzamide (CID 91794811) is 3-(dimethylamino)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]benzamide is CN(C)c1cccc(C(=O)NC(c2ccccn2)C2CC(O)C2)c1.
What is the InChIKey of 3-(dimethylamino)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]benzamide?
The InChIKey is LMVDCRBPVFAYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-22(2)15-7-5-6-13(10-15)19(24)21-18(14-11-16(23)12-14)17-8-3-4-9-20-17/h3-10,14,16,18,23H,11-12H2,1-2H3,(H,21,24).
What are the key properties of 3-(dimethylamino)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]benzamide?
3-(dimethylamino)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]benzamide has a molecular weight of 325.41 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]benzamide is sourced from PubChem (CID 91794811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).