N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide

C18H16BrN5O2 — CID 55726267

IUPACN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide
SMILESCc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1cnn(CC(N)=O)c1
InChIInChI=1S/C18H16BrN5O2/c1-11-15(5-6-16(22-11)12-3-2-4-13(19)7-12)18(26)23-14-8-21-24(9-14)10-17(20)25/h2-9H,10H2,1H3,(H2,20,25)(H,23,26)
InChIKeyTWQAUXCNPOGPAU-UHFFFAOYSA-N
MW414.26 g/mol
LogP2.75
Rot. Bonds5

About N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide

N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide (PubChem CID 55726267) has the molecular formula C18H16BrN5O2 and a molecular weight of 414.26 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide
PubChem CID55726267
Molecular FormulaC18H16BrN5O2
Molecular Weight414.26 g/mol
Exact Mass413.05
IUPAC NameN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide
SMILESCc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1cnn(CC(N)=O)c1
InChIInChI=1S/C18H16BrN5O2/c1-11-15(5-6-16(22-11)12-3-2-4-13(19)7-12)18(26)23-14-8-21-24(9-14)10-17(20)25/h2-9H,10H2,1H3,(H2,20,25)(H,23,26)
InChIKeyTWQAUXCNPOGPAU-UHFFFAOYSA-N
XLogP2.75
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.26
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-bromo-2-hydroxybenzamide
CID 47466044
6-(3-bromophenyl)-N-methoxy-2-methylpyridine-3-carboxamide
CID 30796992
6-(3-bromophenyl)-2-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-3-carboxamide
CID 30822082
6-(3-bromophenyl)-2-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 46480790
6-(3-bromophenyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methylpyridine-3-carboxamide
CID 27018737
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide
CID 46494521
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-bromo-5-methylbenzamide
CID 104852202
6-(3-bromophenyl)-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-2-methylpyridine-3-carboxamide
CID 60560334
6-(3-bromophenyl)-2-methylpyridine-3-carboxylic acid
CID 7131628
6-(3-bromophenyl)-N-(2,5-difluorophenyl)-2-methylpyridine-3-carboxamide
CID 27005490
6-(3-bromophenyl)-N,2-dimethyl-N-phenylpyridine-3-carboxamide
CID 39428114
6-(3-bromophenyl)-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-methylpyridine-3-carboxamide
CID 55701075

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide (CID 55726267) is N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide is Cc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1cnn(CC(N)=O)c1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide?
The InChIKey is TWQAUXCNPOGPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN5O2/c1-11-15(5-6-16(22-11)12-3-2-4-13(19)7-12)18(26)23-14-8-21-24(9-14)10-17(20)25/h2-9H,10H2,1H3,(H2,20,25)(H,23,26).
What are the key properties of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide?
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide has a molecular weight of 414.26 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 55726267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).