4-bromo-N-[(6-methyl-2-pyridinyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide

C15H18BrN3O — CID 62308582

IUPAC4-bromo-N-[(6-methyl-2-pyridinyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCc1cccc(CNC(=O)c2cc(Br)cn2C(C)C)n1
InChIInChI=1S/C15H18BrN3O/c1-10(2)19-9-12(16)7-14(19)15(20)17-8-13-6-4-5-11(3)18-13/h4-7,9-10H,8H2,1-3H3,(H,17,20)
InChIKeyLPSOCFFFAORVLR-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.46
Rot. Bonds4

About 4-bromo-N-[(6-methyl-2-pyridinyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide

4-bromo-N-[(6-methyl-2-pyridinyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 62308582) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 4-bromo-N-[(6-methyl-2-pyridinyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(6-methyl-2-pyridinyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID62308582
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name4-bromo-N-[(6-methyl-2-pyridinyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCc1cccc(CNC(=O)c2cc(Br)cn2C(C)C)n1
InChIInChI=1S/C15H18BrN3O/c1-10(2)19-9-12(16)7-14(19)15(20)17-8-13-6-4-5-11(3)18-13/h4-7,9-10H,8H2,1-3H3,(H,17,20)
InChIKeyLPSOCFFFAORVLR-UHFFFAOYSA-N
XLogP3.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[2-(2-methylpropanoylamino)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61248454
4-bromo-N-but-2-ynyl-1-propan-2-ylpyrrole-2-carboxamide
CID 115866879
4-bromo-N-[2-(2-hydroxypropylamino)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 104593748
4-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 103861005
3-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)amino]-2-phenylpropanoic acid
CID 119254949
4-bromo-N-[2-(3-fluorophenyl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 43641734
4-bromo-N-(4-methylpentyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 54913924
N-(3-aminobutyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
CID 63253541
4-bromo-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 78895679
3-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-carboxamide
CID 47340934
3-bromo-4-chloro-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 103841720
4-bromo-N-[2-(1-methylpyrazol-3-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 104627181

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(6-methyl-2-pyridinyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[(6-methyl-2-pyridinyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide (CID 62308582) is 4-bromo-N-[(6-methyl-2-pyridinyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(6-methyl-2-pyridinyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(6-methyl-2-pyridinyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide is Cc1cccc(CNC(=O)c2cc(Br)cn2C(C)C)n1.
What is the InChIKey of 4-bromo-N-[(6-methyl-2-pyridinyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is LPSOCFFFAORVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-10(2)19-9-12(16)7-14(19)15(20)17-8-13-6-4-5-11(3)18-13/h4-7,9-10H,8H2,1-3H3,(H,17,20).
What are the key properties of 4-bromo-N-[(6-methyl-2-pyridinyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide?
4-bromo-N-[(6-methyl-2-pyridinyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 336.23 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(6-methyl-2-pyridinyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 62308582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).