N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide

C23H21BrN4O3 — CID 46494521

IUPACN-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide
SMILESCc1nc(-c2cccc(Br)c2)ccc1C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1
InChIInChI=1S/C23H21BrN4O3/c1-14-19(9-10-20(28-14)17-3-2-4-18(24)11-17)23(31)26-12-15-5-7-16(8-6-15)22(30)27-13-21(25)29/h2-11H,12-13H2,1H3,(H2,25,29)(H,26,31)(H,27,30)
InChIKeyGLDFWKWDLBOADC-UHFFFAOYSA-N
MW481.35 g/mol
LogP2.96
Rot. Bonds7

About N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide

N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide (PubChem CID 46494521) has the molecular formula C23H21BrN4O3 and a molecular weight of 481.35 g/mol. Its IUPAC name is N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide
PubChem CID46494521
Molecular FormulaC23H21BrN4O3
Molecular Weight481.35 g/mol
Exact Mass480.08
IUPAC NameN-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide
SMILESCc1nc(-c2cccc(Br)c2)ccc1C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1
InChIInChI=1S/C23H21BrN4O3/c1-14-19(9-10-20(28-14)17-3-2-4-18(24)11-17)23(31)26-12-15-5-7-16(8-6-15)22(30)27-13-21(25)29/h2-11H,12-13H2,1H3,(H2,25,29)(H,26,31)(H,27,30)
InChIKeyGLDFWKWDLBOADC-UHFFFAOYSA-N
XLogP2.96
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.35
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-bromophenyl)-N-methoxy-2-methylpyridine-3-carboxamide
CID 30796992
6-(3-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpyridine-3-carboxamide
CID 27017500
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-bromo-2-hydroxybenzamide
CID 55816021
6-(3-bromophenyl)-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 43038503
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 46494617
6-(3-bromophenyl)-N-[2-(dimethylamino)-3-methylbutyl]-2-methylpyridine-3-carboxamide
CID 43066460
6-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)-2-methylpyridine-3-carboxamide
CID 110887368
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55737001
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide
CID 55726267
6-(3-bromophenyl)-2-methylpyridine-3-carboxylic acid
CID 7131628
6-(3-bromophenyl)-2-methyl-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 55631668
6-(3-bromophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylpyridine-3-carboxamide
CID 43042066

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide?
The IUPAC name of N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide (CID 46494521) is N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide is Cc1nc(-c2cccc(Br)c2)ccc1C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1.
What is the InChIKey of N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide?
The InChIKey is GLDFWKWDLBOADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN4O3/c1-14-19(9-10-20(28-14)17-3-2-4-18(24)11-17)23(31)26-12-15-5-7-16(8-6-15)22(30)27-13-21(25)29/h2-11H,12-13H2,1H3,(H2,25,29)(H,26,31)(H,27,30).
What are the key properties of N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide?
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide has a molecular weight of 481.35 g/mol, XLogP of 2.96, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 46494521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).