4-bromo-N-(2-methyl-4-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide

C14H16BrN3O — CID 79035675

IUPAC4-bromo-N-(2-methyl-4-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(Br)cn2C(C)C)ccn1
InChIInChI=1S/C14H16BrN3O/c1-9(2)18-8-11(15)7-13(18)14(19)17-12-4-5-16-10(3)6-12/h4-9H,1-3H3,(H,16,17,19)
InChIKeyFAWHHAGDBPANTJ-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.79
Rot. Bonds3

About 4-bromo-N-(2-methyl-4-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide

4-bromo-N-(2-methyl-4-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 79035675) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 4-bromo-N-(2-methyl-4-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-methyl-4-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID79035675
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name4-bromo-N-(2-methyl-4-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(Br)cn2C(C)C)ccn1
InChIInChI=1S/C14H16BrN3O/c1-9(2)18-8-11(15)7-13(18)14(19)17-12-4-5-16-10(3)6-12/h4-9H,1-3H3,(H,16,17,19)
InChIKeyFAWHHAGDBPANTJ-UHFFFAOYSA-N
XLogP3.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-methyl-4-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(2-methyl-4-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide (CID 79035675) is 4-bromo-N-(2-methyl-4-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-methyl-4-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2-methyl-4-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide is Cc1cc(NC(=O)c2cc(Br)cn2C(C)C)ccn1.
What is the InChIKey of 4-bromo-N-(2-methyl-4-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is FAWHHAGDBPANTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-9(2)18-8-11(15)7-13(18)14(19)17-12-4-5-16-10(3)6-12/h4-9H,1-3H3,(H,16,17,19).
What are the key properties of 4-bromo-N-(2-methyl-4-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide?
4-bromo-N-(2-methyl-4-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 322.21 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-methyl-4-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 79035675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).