N-(4-bromo-2-pyridinyl)-N-methyl-1H-pyrrole-3-carboxamide

C11H10BrN3O — CID 115274358

IUPACN-(4-bromo-2-pyridinyl)-N-methyl-1H-pyrrole-3-carboxamide
SMILESCN(C(=O)c1cc[nH]c1)c1cc(Br)ccn1
InChIInChI=1S/C11H10BrN3O/c1-15(10-6-9(12)3-5-14-10)11(16)8-2-4-13-7-8/h2-7,13H,1H3
InChIKeySCYHICJQRFVAQY-UHFFFAOYSA-N
MW280.12 g/mol
LogP2.45
Rot. Bonds2

About N-(4-bromo-2-pyridinyl)-N-methyl-1H-pyrrole-3-carboxamide

N-(4-bromo-2-pyridinyl)-N-methyl-1H-pyrrole-3-carboxamide (PubChem CID 115274358) has the molecular formula C11H10BrN3O and a molecular weight of 280.12 g/mol. Its IUPAC name is N-(4-bromo-2-pyridinyl)-N-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-pyridinyl)-N-methyl-1H-pyrrole-3-carboxamide
PubChem CID115274358
Molecular FormulaC11H10BrN3O
Molecular Weight280.12 g/mol
Exact Mass279.00
IUPAC NameN-(4-bromo-2-pyridinyl)-N-methyl-1H-pyrrole-3-carboxamide
SMILESCN(C(=O)c1cc[nH]c1)c1cc(Br)ccn1
InChIInChI=1S/C11H10BrN3O/c1-15(10-6-9(12)3-5-14-10)11(16)8-2-4-13-7-8/h2-7,13H,1H3
InChIKeySCYHICJQRFVAQY-UHFFFAOYSA-N
XLogP2.45
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2-pyridinyl)-methylcarbamic acid
CID 68656827
N-(4-bromo-2-pyridinyl)-4-methoxy-N,3-dimethylbenzamide
CID 115274344
methyl N-(4-bromo-2-pyridinyl)-N-methylcarbamate
CID 115268384
N-(4-fluorophenyl)-N-methyl-1H-pyrrole-3-carboxamide
CID 126795374
1-(3-bromophenyl)-2-(1H-pyrrol-3-yl)ethane-1,2-dione
CID 59772668
N-(4-bromo-2-pyridinyl)-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 115274377
4-bromo-N-(4-methylphenyl)pyridine-2-carboxamide
CID 132587528
N-methyl-2-oxo-N-pyridin-2-yl-1H-pyridine-4-carboxamide
CID 113258009
3-[(4-bromo-2-pyridinyl)-methylamino]-2-methylpropanoic acid
CID 122064988
(2R)-1-[(4-bromo-2-pyridinyl)-methylamino]propan-2-ol
CID 99857782
N-(4-bromo-2-pyridinyl)-N-methyl-1H-pyrrole-2-sulfonamide
CID 115274329
N-(5-bromo-2-pyridinyl)-4-chloro-N-methylbenzamide
CID 115268312

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-pyridinyl)-N-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-(4-bromo-2-pyridinyl)-N-methyl-1H-pyrrole-3-carboxamide (CID 115274358) is N-(4-bromo-2-pyridinyl)-N-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-pyridinyl)-N-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-pyridinyl)-N-methyl-1H-pyrrole-3-carboxamide is CN(C(=O)c1cc[nH]c1)c1cc(Br)ccn1.
What is the InChIKey of N-(4-bromo-2-pyridinyl)-N-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is SCYHICJQRFVAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O/c1-15(10-6-9(12)3-5-14-10)11(16)8-2-4-13-7-8/h2-7,13H,1H3.
What are the key properties of N-(4-bromo-2-pyridinyl)-N-methyl-1H-pyrrole-3-carboxamide?
N-(4-bromo-2-pyridinyl)-N-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 280.12 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-pyridinyl)-N-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 115274358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).