N-[3-[[(4-bromo-3,5-dimethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide

C22H20BrN3O4 — CID 55903083

IUPACN-[3-[[(4-bromo-3,5-dimethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide
SMILESCOc1cc(C(=O)NCc2cccc(NC(=O)c3ccncc3)c2)cc(OC)c1Br
InChIInChI=1S/C22H20BrN3O4/c1-29-18-11-16(12-19(30-2)20(18)23)21(27)25-13-14-4-3-5-17(10-14)26-22(28)15-6-8-24-9-7-15/h3-12H,13H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyBDZMODJZGIYUQV-UHFFFAOYSA-N
MW470.32 g/mol
LogP4.04
Rot. Bonds7

About N-[3-[[(4-bromo-3,5-dimethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide

N-[3-[[(4-bromo-3,5-dimethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide (PubChem CID 55903083) has the molecular formula C22H20BrN3O4 and a molecular weight of 470.32 g/mol. Its IUPAC name is N-[3-[[(4-bromo-3,5-dimethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[(4-bromo-3,5-dimethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide
PubChem CID55903083
Molecular FormulaC22H20BrN3O4
Molecular Weight470.32 g/mol
Exact Mass469.06
IUPAC NameN-[3-[[(4-bromo-3,5-dimethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide
SMILESCOc1cc(C(=O)NCc2cccc(NC(=O)c3ccncc3)c2)cc(OC)c1Br
InChIInChI=1S/C22H20BrN3O4/c1-29-18-11-16(12-19(30-2)20(18)23)21(27)25-13-14-4-3-5-17(10-14)26-22(28)15-6-8-24-9-7-15/h3-12H,13H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyBDZMODJZGIYUQV-UHFFFAOYSA-N
XLogP4.04
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.32
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide
CID 166187411
N-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 47064652
N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411
4-bromo-N-(3-bromophenyl)-3,5-dimethoxybenzamide
CID 26687629
4-bromo-3,5-dimethoxy-N-pyridin-3-ylbenzamide
CID 27165075
N-[3-[[(5-methylthiophene-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 55904354
4-N-(3-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047690
4-bromo-3,5-dimethoxy-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 37007263
4-N-(3-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046885
N-[(3-acetamidophenyl)methyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 39572991
N-[3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 55903588
N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide
CID 110776808

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(4-bromo-3,5-dimethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[[(4-bromo-3,5-dimethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide (CID 55903083) is N-[3-[[(4-bromo-3,5-dimethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[[(4-bromo-3,5-dimethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[[(4-bromo-3,5-dimethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide is COc1cc(C(=O)NCc2cccc(NC(=O)c3ccncc3)c2)cc(OC)c1Br.
What is the InChIKey of N-[3-[[(4-bromo-3,5-dimethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide?
The InChIKey is BDZMODJZGIYUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN3O4/c1-29-18-11-16(12-19(30-2)20(18)23)21(27)25-13-14-4-3-5-17(10-14)26-22(28)15-6-8-24-9-7-15/h3-12H,13H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-[3-[[(4-bromo-3,5-dimethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide?
N-[3-[[(4-bromo-3,5-dimethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide has a molecular weight of 470.32 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(4-bromo-3,5-dimethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 55903083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).