4-bromo-1-cyclopropyl-N-(6-methoxy-3-pyridinyl)pyrrole-2-carboxamide

C14H14BrN3O2 — CID 43640546

IUPAC4-bromo-1-cyclopropyl-N-(6-methoxy-3-pyridinyl)pyrrole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Br)cn2C2CC2)cn1
InChIInChI=1S/C14H14BrN3O2/c1-20-13-5-2-10(7-16-13)17-14(19)12-6-9(15)8-18(12)11-3-4-11/h2,5-8,11H,3-4H2,1H3,(H,17,19)
InChIKeyLKNOUHDLHLUZDO-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.24
Rot. Bonds4

About 4-bromo-1-cyclopropyl-N-(6-methoxy-3-pyridinyl)pyrrole-2-carboxamide

4-bromo-1-cyclopropyl-N-(6-methoxy-3-pyridinyl)pyrrole-2-carboxamide (PubChem CID 43640546) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 4-bromo-1-cyclopropyl-N-(6-methoxy-3-pyridinyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-cyclopropyl-N-(6-methoxy-3-pyridinyl)pyrrole-2-carboxamide
PubChem CID43640546
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name4-bromo-1-cyclopropyl-N-(6-methoxy-3-pyridinyl)pyrrole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Br)cn2C2CC2)cn1
InChIInChI=1S/C14H14BrN3O2/c1-20-13-5-2-10(7-16-13)17-14(19)12-6-9(15)8-18(12)11-3-4-11/h2,5-8,11H,3-4H2,1H3,(H,17,19)
InChIKeyLKNOUHDLHLUZDO-UHFFFAOYSA-N
XLogP3.24
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1-cyclopropyl-N-[6-(dimethylamino)-3-pyridinyl]pyrrole-2-carboxamide
CID 60954660
4-bromo-N-(4-bromo-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxamide
CID 82858850
4-bromo-1-cyclopropyl-N-(3,4-dichlorophenyl)pyrrole-2-carboxamide
CID 43640889
4-bromo-1-cyclopropyl-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide
CID 43641085
4-bromo-1-cyclopropyl-N-(1-ethylpyrazol-4-yl)pyrrole-2-carboxamide
CID 43641679
4-bromo-N-(3-chloro-4-methylphenyl)-1-cyclopropylpyrrole-2-carboxamide
CID 43640750
4-bromo-1-cyclopropyl-N-(4-propylphenyl)pyrrole-2-carboxamide
CID 43641616
N-(1,3-benzothiazol-6-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 107805814
4-bromo-1-cyclopropyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrole-2-carboxamide
CID 62904631
4-bromo-N-(4-chloro-3-hydroxyphenyl)-1-cyclopropylpyrrole-2-carboxamide
CID 64787688
4-bromo-1-cyclopropyl-N-[4-(2-hydroxyethyl)phenyl]pyrrole-2-carboxamide
CID 61222503
4-bromo-1-cyclopropyl-N-(4-methyl-3-pyridinyl)pyrrole-2-carboxamide
CID 63327596

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropyl-N-(6-methoxy-3-pyridinyl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-cyclopropyl-N-(6-methoxy-3-pyridinyl)pyrrole-2-carboxamide (CID 43640546) is 4-bromo-1-cyclopropyl-N-(6-methoxy-3-pyridinyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-cyclopropyl-N-(6-methoxy-3-pyridinyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-cyclopropyl-N-(6-methoxy-3-pyridinyl)pyrrole-2-carboxamide is COc1ccc(NC(=O)c2cc(Br)cn2C2CC2)cn1.
What is the InChIKey of 4-bromo-1-cyclopropyl-N-(6-methoxy-3-pyridinyl)pyrrole-2-carboxamide?
The InChIKey is LKNOUHDLHLUZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-20-13-5-2-10(7-16-13)17-14(19)12-6-9(15)8-18(12)11-3-4-11/h2,5-8,11H,3-4H2,1H3,(H,17,19).
What are the key properties of 4-bromo-1-cyclopropyl-N-(6-methoxy-3-pyridinyl)pyrrole-2-carboxamide?
4-bromo-1-cyclopropyl-N-(6-methoxy-3-pyridinyl)pyrrole-2-carboxamide has a molecular weight of 336.19 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclopropyl-N-(6-methoxy-3-pyridinyl)pyrrole-2-carboxamide is sourced from PubChem (CID 43640546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).