3-bromo-2-hydroxy-5-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide

C19H22BrN3O2 — CID 71888974

IUPAC3-bromo-2-hydroxy-5-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide
SMILESCc1cc(Br)c(O)c(C(=O)NCc2ccnc(N3CCCCC3)c2)c1
InChIInChI=1S/C19H22BrN3O2/c1-13-9-15(18(24)16(20)10-13)19(25)22-12-14-5-6-21-17(11-14)23-7-3-2-4-8-23/h5-6,9-11,24H,2-4,7-8,12H2,1H3,(H,22,25)
InChIKeyRLTWVNHWOIEUDK-UHFFFAOYSA-N
MW404.31 g/mol
LogP3.78
Rot. Bonds4

About 3-bromo-2-hydroxy-5-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide

3-bromo-2-hydroxy-5-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide (PubChem CID 71888974) has the molecular formula C19H22BrN3O2 and a molecular weight of 404.31 g/mol. Its IUPAC name is 3-bromo-2-hydroxy-5-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-2-hydroxy-5-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide
PubChem CID71888974
Molecular FormulaC19H22BrN3O2
Molecular Weight404.31 g/mol
Exact Mass403.09
IUPAC Name3-bromo-2-hydroxy-5-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide
SMILESCc1cc(Br)c(O)c(C(=O)NCc2ccnc(N3CCCCC3)c2)c1
InChIInChI=1S/C19H22BrN3O2/c1-13-9-15(18(24)16(20)10-13)19(25)22-12-14-5-6-21-17(11-14)23-7-3-2-4-8-23/h5-6,9-11,24H,2-4,7-8,12H2,1H3,(H,22,25)
InChIKeyRLTWVNHWOIEUDK-UHFFFAOYSA-N
XLogP3.78
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.31
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-bromo-2-hydroxy-5-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
CID 119946399
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 154737151
2-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 119946403
2,5-dimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78901608
2-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide
CID 36754760
2,5-dimethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32585579
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(3-methylphenyl)urea
CID 46387376
3,6-dimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 87005260
4,6-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1H-indole-2-carboxamide
CID 55533564
4-(4-methylbenzoyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide
CID 55913038
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 37312156
4-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 55522332

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-hydroxy-5-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide?
The IUPAC name of 3-bromo-2-hydroxy-5-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide (CID 71888974) is 3-bromo-2-hydroxy-5-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-bromo-2-hydroxy-5-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-bromo-2-hydroxy-5-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide is Cc1cc(Br)c(O)c(C(=O)NCc2ccnc(N3CCCCC3)c2)c1.
What is the InChIKey of 3-bromo-2-hydroxy-5-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide?
The InChIKey is RLTWVNHWOIEUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O2/c1-13-9-15(18(24)16(20)10-13)19(25)22-12-14-5-6-21-17(11-14)23-7-3-2-4-8-23/h5-6,9-11,24H,2-4,7-8,12H2,1H3,(H,22,25).
What are the key properties of 3-bromo-2-hydroxy-5-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide?
3-bromo-2-hydroxy-5-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide has a molecular weight of 404.31 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-hydroxy-5-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide is sourced from PubChem (CID 71888974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).