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

C14H16BrN3O — CID 43641275

IUPAC4-bromo-N-(4-methyl-2-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCc1ccnc(NC(=O)c2cc(Br)cn2C(C)C)c1
InChIInChI=1S/C14H16BrN3O/c1-9(2)18-8-11(15)7-12(18)14(19)17-13-6-10(3)4-5-16-13/h4-9H,1-3H3,(H,16,17,19)
InChIKeyAUWBLSUFYKVKKW-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.79
Rot. Bonds3

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

4-bromo-N-(4-methyl-2-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 43641275) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 4-bromo-N-(4-methyl-2-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4-methyl-2-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID43641275
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name4-bromo-N-(4-methyl-2-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCc1ccnc(NC(=O)c2cc(Br)cn2C(C)C)c1
InChIInChI=1S/C14H16BrN3O/c1-9(2)18-8-11(15)7-12(18)14(19)17-13-6-10(3)4-5-16-13/h4-9H,1-3H3,(H,16,17,19)
InChIKeyAUWBLSUFYKVKKW-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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Related Compounds

4-bromo-N-(2-methyl-4-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 79035675
4-bromo-N-(1-methylpyrazol-3-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 60808516
4-bromo-N-(4-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43640158
4-bromo-N-(6-chloropyridazin-3-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 115666662
3,5-dibromo-N-(4-methyl-2-pyridinyl)benzamide
CID 113349571
4-bromo-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 63562551
4-bromo-N-[2-(2-methylpropanoylamino)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61248454
N-(4-acetylphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
CID 60954488
4-bromo-N-(2-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 80710284
4-bromo-N-(5-chloro-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43641233
2,4-dibromo-N-(4-methyl-2-pyridinyl)benzamide
CID 1234856
4-bromo-N-(3,5-dichlorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43640867

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-methyl-2-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(4-methyl-2-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide (CID 43641275) is 4-bromo-N-(4-methyl-2-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(4-methyl-2-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(4-methyl-2-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide is Cc1ccnc(NC(=O)c2cc(Br)cn2C(C)C)c1.
What is the InChIKey of 4-bromo-N-(4-methyl-2-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is AUWBLSUFYKVKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-9(2)18-8-11(15)7-12(18)14(19)17-13-6-10(3)4-5-16-13/h4-9H,1-3H3,(H,16,17,19).
What are the key properties of 4-bromo-N-(4-methyl-2-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide?
4-bromo-N-(4-methyl-2-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-(4-methyl-2-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 43641275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).