N-[5-bromo-6-(dimethylamino)-3-pyridinyl]-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride

C26H30BrClN4O — CID 162337651

IUPACN-[5-bromo-6-(dimethylamino)-3-pyridinyl]-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride
SMILESCN(C)c1ncc(NC(=O)c2ccc(-c3ccccc3)c(CN3CCCCC3)c2)cc1Br.Cl
InChIInChI=1S/C26H29BrN4O.ClH/c1-30(2)25-24(27)16-22(17-28-25)29-26(32)20-11-12-23(19-9-5-3-6-10-19)21(15-20)18-31-13-7-4-8-14-31;/h3,5-6,9-12,15-17H,4,7-8,13-14,18H2,1-2H3,(H,29,32);1H
InChIKeyNTDIEQHCSPFIAX-UHFFFAOYSA-N
MW529.91 g/mol
LogP6.24
Rot. Bonds6

About N-[5-bromo-6-(dimethylamino)-3-pyridinyl]-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride

N-[5-bromo-6-(dimethylamino)-3-pyridinyl]-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride (PubChem CID 162337651) has the molecular formula C26H30BrClN4O and a molecular weight of 529.91 g/mol. Its IUPAC name is N-[5-bromo-6-(dimethylamino)-3-pyridinyl]-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[5-bromo-6-(dimethylamino)-3-pyridinyl]-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride
PubChem CID162337651
Molecular FormulaC26H30BrClN4O
Molecular Weight529.91 g/mol
Exact Mass528.13
IUPAC NameN-[5-bromo-6-(dimethylamino)-3-pyridinyl]-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride
SMILESCN(C)c1ncc(NC(=O)c2ccc(-c3ccccc3)c(CN3CCCCC3)c2)cc1Br.Cl
InChIInChI=1S/C26H29BrN4O.ClH/c1-30(2)25-24(27)16-22(17-28-25)29-26(32)20-11-12-23(19-9-5-3-6-10-19)21(15-20)18-31-13-7-4-8-14-31;/h3,5-6,9-12,15-17H,4,7-8,13-14,18H2,1-2H3,(H,29,32);1H
InChIKeyNTDIEQHCSPFIAX-UHFFFAOYSA-N
XLogP6.24
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.91
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-bromo-6-(dimethylamino)-3-pyridinyl]-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride 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

N-[2-(dimethylamino)-4-pyridinyl]-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;dihydrochloride
CID 162320964
N-(2-methyl-2,3-dihydro-1,3-benzothiazol-5-yl)-4-phenyl-3-(piperidin-1-ylmethyl)benzamide
CID 126635585
N-(1,3-benzothiazol-5-yl)-4-(4-fluorophenyl)-3-(piperidin-1-ylmethyl)benzamide;hydrochloride
CID 162308957
N-(2-carbamoyl-4-chlorophenyl)-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride
CID 162338003
1-[[5-(1,3-benzothiazol-5-ylcarbamoyl)-2-phenylphenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 23112227
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-phenylbenzamide
CID 91969317
4-bromo-N-(4-chloro-3-fluorophenyl)-3-(piperidin-1-ylmethyl)benzamide
CID 145429498
4-(azepan-1-ylmethyl)-3-bromobenzohydrazide
CID 102774488
4-(azocan-1-ylmethyl)-3-bromobenzohydrazide
CID 102774506
N-(1,3-benzothiazol-5-yl)-3-[(cyclohexylamino)methyl]-4-phenylbenzamide;hydrochloride
CID 162340024
N-[6-(azepan-1-yl)-3-pyridinyl]-4-chloro-2-(dimethylamino)-5-phenylbenzamide
CID 162096371
N-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-3-ethyl-4-phenylbenzamide
CID 58866504

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-6-(dimethylamino)-3-pyridinyl]-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride?
The IUPAC name of N-[5-bromo-6-(dimethylamino)-3-pyridinyl]-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride (CID 162337651) is N-[5-bromo-6-(dimethylamino)-3-pyridinyl]-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for N-[5-bromo-6-(dimethylamino)-3-pyridinyl]-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for N-[5-bromo-6-(dimethylamino)-3-pyridinyl]-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride is CN(C)c1ncc(NC(=O)c2ccc(-c3ccccc3)c(CN3CCCCC3)c2)cc1Br.Cl.
What is the InChIKey of N-[5-bromo-6-(dimethylamino)-3-pyridinyl]-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride?
The InChIKey is NTDIEQHCSPFIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29BrN4O.ClH/c1-30(2)25-24(27)16-22(17-28-25)29-26(32)20-11-12-23(19-9-5-3-6-10-19)21(15-20)18-31-13-7-4-8-14-31;/h3,5-6,9-12,15-17H,4,7-8,13-14,18H2,1-2H3,(H,29,32);1H.
What are the key properties of N-[5-bromo-6-(dimethylamino)-3-pyridinyl]-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride?
N-[5-bromo-6-(dimethylamino)-3-pyridinyl]-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride has a molecular weight of 529.91 g/mol, XLogP of 6.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-6-(dimethylamino)-3-pyridinyl]-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 162337651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).