5-(3-bromophenyl)-N,1-dimethyl-N-(6-methyl-2-pyridinyl)pyrrole-2-carboxamide

C19H18BrN3O — CID 99637117

IUPAC5-(3-bromophenyl)-N,1-dimethyl-N-(6-methyl-2-pyridinyl)pyrrole-2-carboxamide
SMILESCc1cccc(N(C)C(=O)c2ccc(-c3cccc(Br)c3)n2C)n1
InChIInChI=1S/C19H18BrN3O/c1-13-6-4-9-18(21-13)23(3)19(24)17-11-10-16(22(17)2)14-7-5-8-15(20)12-14/h4-12H,1-3H3
InChIKeyPBNAIJOYBGHAJO-UHFFFAOYSA-N
MW384.28 g/mol
LogP4.43
Rot. Bonds3

About 5-(3-bromophenyl)-N,1-dimethyl-N-(6-methyl-2-pyridinyl)pyrrole-2-carboxamide

5-(3-bromophenyl)-N,1-dimethyl-N-(6-methyl-2-pyridinyl)pyrrole-2-carboxamide (PubChem CID 99637117) has the molecular formula C19H18BrN3O and a molecular weight of 384.28 g/mol. Its IUPAC name is 5-(3-bromophenyl)-N,1-dimethyl-N-(6-methyl-2-pyridinyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-(3-bromophenyl)-N,1-dimethyl-N-(6-methyl-2-pyridinyl)pyrrole-2-carboxamide
PubChem CID99637117
Molecular FormulaC19H18BrN3O
Molecular Weight384.28 g/mol
Exact Mass383.06
IUPAC Name5-(3-bromophenyl)-N,1-dimethyl-N-(6-methyl-2-pyridinyl)pyrrole-2-carboxamide
SMILESCc1cccc(N(C)C(=O)c2ccc(-c3cccc(Br)c3)n2C)n1
InChIInChI=1S/C19H18BrN3O/c1-13-6-4-9-18(21-13)23(3)19(24)17-11-10-16(22(17)2)14-7-5-8-15(20)12-14/h4-12H,1-3H3
InChIKeyPBNAIJOYBGHAJO-UHFFFAOYSA-N
XLogP4.43
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-N,1-dimethyl-N-(6-methyl-2-pyridinyl)pyrrole-2-carboxamide?
The IUPAC name of 5-(3-bromophenyl)-N,1-dimethyl-N-(6-methyl-2-pyridinyl)pyrrole-2-carboxamide (CID 99637117) is 5-(3-bromophenyl)-N,1-dimethyl-N-(6-methyl-2-pyridinyl)pyrrole-2-carboxamide.
What is the SMILES notation for 5-(3-bromophenyl)-N,1-dimethyl-N-(6-methyl-2-pyridinyl)pyrrole-2-carboxamide?
The canonical SMILES for 5-(3-bromophenyl)-N,1-dimethyl-N-(6-methyl-2-pyridinyl)pyrrole-2-carboxamide is Cc1cccc(N(C)C(=O)c2ccc(-c3cccc(Br)c3)n2C)n1.
What is the InChIKey of 5-(3-bromophenyl)-N,1-dimethyl-N-(6-methyl-2-pyridinyl)pyrrole-2-carboxamide?
The InChIKey is PBNAIJOYBGHAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O/c1-13-6-4-9-18(21-13)23(3)19(24)17-11-10-16(22(17)2)14-7-5-8-15(20)12-14/h4-12H,1-3H3.
What are the key properties of 5-(3-bromophenyl)-N,1-dimethyl-N-(6-methyl-2-pyridinyl)pyrrole-2-carboxamide?
5-(3-bromophenyl)-N,1-dimethyl-N-(6-methyl-2-pyridinyl)pyrrole-2-carboxamide has a molecular weight of 384.28 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-N,1-dimethyl-N-(6-methyl-2-pyridinyl)pyrrole-2-carboxamide is sourced from PubChem (CID 99637117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).