4-bromo-1-cyclopropyl-N-[6-(dimethylamino)-3-pyridinyl]pyrrole-2-carboxamide

C15H17BrN4O — CID 60954660

IUPAC4-bromo-1-cyclopropyl-N-[6-(dimethylamino)-3-pyridinyl]pyrrole-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cc(Br)cn2C2CC2)cn1
InChIInChI=1S/C15H17BrN4O/c1-19(2)14-6-3-11(8-17-14)18-15(21)13-7-10(16)9-20(13)12-4-5-12/h3,6-9,12H,4-5H2,1-2H3,(H,18,21)
InChIKeyGFRRSQZPDQWSOV-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.30
Rot. Bonds4

About 4-bromo-1-cyclopropyl-N-[6-(dimethylamino)-3-pyridinyl]pyrrole-2-carboxamide

4-bromo-1-cyclopropyl-N-[6-(dimethylamino)-3-pyridinyl]pyrrole-2-carboxamide (PubChem CID 60954660) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is 4-bromo-1-cyclopropyl-N-[6-(dimethylamino)-3-pyridinyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-cyclopropyl-N-[6-(dimethylamino)-3-pyridinyl]pyrrole-2-carboxamide
PubChem CID60954660
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name4-bromo-1-cyclopropyl-N-[6-(dimethylamino)-3-pyridinyl]pyrrole-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cc(Br)cn2C2CC2)cn1
InChIInChI=1S/C15H17BrN4O/c1-19(2)14-6-3-11(8-17-14)18-15(21)13-7-10(16)9-20(13)12-4-5-12/h3,6-9,12H,4-5H2,1-2H3,(H,18,21)
InChIKeyGFRRSQZPDQWSOV-UHFFFAOYSA-N
XLogP3.30
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropyl-N-[6-(dimethylamino)-3-pyridinyl]pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-cyclopropyl-N-[6-(dimethylamino)-3-pyridinyl]pyrrole-2-carboxamide (CID 60954660) is 4-bromo-1-cyclopropyl-N-[6-(dimethylamino)-3-pyridinyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-cyclopropyl-N-[6-(dimethylamino)-3-pyridinyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-cyclopropyl-N-[6-(dimethylamino)-3-pyridinyl]pyrrole-2-carboxamide is CN(C)c1ccc(NC(=O)c2cc(Br)cn2C2CC2)cn1.
What is the InChIKey of 4-bromo-1-cyclopropyl-N-[6-(dimethylamino)-3-pyridinyl]pyrrole-2-carboxamide?
The InChIKey is GFRRSQZPDQWSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c1-19(2)14-6-3-11(8-17-14)18-15(21)13-7-10(16)9-20(13)12-4-5-12/h3,6-9,12H,4-5H2,1-2H3,(H,18,21).
What are the key properties of 4-bromo-1-cyclopropyl-N-[6-(dimethylamino)-3-pyridinyl]pyrrole-2-carboxamide?
4-bromo-1-cyclopropyl-N-[6-(dimethylamino)-3-pyridinyl]pyrrole-2-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 3.30, 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-(dimethylamino)-3-pyridinyl]pyrrole-2-carboxamide is sourced from PubChem (CID 60954660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).