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

C11H10BrN3O — CID 55220101

IUPAC4-bromo-N-(4-methyl-3-pyridinyl)-1H-pyrrole-2-carboxamide
SMILESCc1ccncc1NC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C11H10BrN3O/c1-7-2-3-13-6-10(7)15-11(16)9-4-8(12)5-14-9/h2-6,14H,1H3,(H,15,16)
InChIKeyWMIXZFGGPDCNCM-UHFFFAOYSA-N
MW280.12 g/mol
LogP2.73
Rot. Bonds2

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

4-bromo-N-(4-methyl-3-pyridinyl)-1H-pyrrole-2-carboxamide (PubChem CID 55220101) has the molecular formula C11H10BrN3O and a molecular weight of 280.12 g/mol. Its IUPAC name is 4-bromo-N-(4-methyl-3-pyridinyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4-methyl-3-pyridinyl)-1H-pyrrole-2-carboxamide
PubChem CID55220101
Molecular FormulaC11H10BrN3O
Molecular Weight280.12 g/mol
Exact Mass279.00
IUPAC Name4-bromo-N-(4-methyl-3-pyridinyl)-1H-pyrrole-2-carboxamide
SMILESCc1ccncc1NC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C11H10BrN3O/c1-7-2-3-13-6-10(7)15-11(16)9-4-8(12)5-14-9/h2-6,14H,1H3,(H,15,16)
InChIKeyWMIXZFGGPDCNCM-UHFFFAOYSA-N
XLogP2.73
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chlorophenyl)-N-(4-methyl-3-pyridinyl)-1H-pyrrole-2-carboxamide
CID 166218692
4-bromo-N-pyridin-4-yl-1H-pyrrole-2-carboxamide
CID 18109255
2,5-dibromo-N-(4-methyl-3-pyridinyl)benzamide
CID 114372326
4-bromo-N-(3-iodo-4-methylphenyl)-1H-pyrrole-2-carboxamide
CID 60667388
4-bromo-N-(2-hydroxy-4-methylphenyl)-1H-pyrrole-2-carboxamide
CID 18109016
4-bromo-N-(3-hydroxy-2-methylphenyl)-1H-pyrrole-2-carboxamide
CID 64793249
5-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 63327503
4-bromo-N-(2-methylquinolin-8-yl)-1H-pyrrole-2-carboxamide
CID 62954640
5-bromo-4-methyl-N-(4-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 79941495
1,3-bis(4-methyl-3-pyridinyl)urea
CID 86818735
4,5-dibromo-N-(4-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 78941963
4-bromo-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 60954664

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-methyl-3-pyridinyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(4-methyl-3-pyridinyl)-1H-pyrrole-2-carboxamide (CID 55220101) is 4-bromo-N-(4-methyl-3-pyridinyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(4-methyl-3-pyridinyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(4-methyl-3-pyridinyl)-1H-pyrrole-2-carboxamide is Cc1ccncc1NC(=O)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-(4-methyl-3-pyridinyl)-1H-pyrrole-2-carboxamide?
The InChIKey is WMIXZFGGPDCNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O/c1-7-2-3-13-6-10(7)15-11(16)9-4-8(12)5-14-9/h2-6,14H,1H3,(H,15,16).
What are the key properties of 4-bromo-N-(4-methyl-3-pyridinyl)-1H-pyrrole-2-carboxamide?
4-bromo-N-(4-methyl-3-pyridinyl)-1H-pyrrole-2-carboxamide has a molecular weight of 280.12 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-methyl-3-pyridinyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 55220101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).