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

C14H14BrN3O — CID 63327596

IUPAC4-bromo-1-cyclopropyl-N-(4-methyl-3-pyridinyl)pyrrole-2-carboxamide
SMILESCc1ccncc1NC(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C14H14BrN3O/c1-9-4-5-16-7-12(9)17-14(19)13-6-10(15)8-18(13)11-2-3-11/h4-8,11H,2-3H2,1H3,(H,17,19)
InChIKeyADKKGIKWRASQRO-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.54
Rot. Bonds3

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

4-bromo-1-cyclopropyl-N-(4-methyl-3-pyridinyl)pyrrole-2-carboxamide (PubChem CID 63327596) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 4-bromo-1-cyclopropyl-N-(4-methyl-3-pyridinyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-cyclopropyl-N-(4-methyl-3-pyridinyl)pyrrole-2-carboxamide
PubChem CID63327596
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name4-bromo-1-cyclopropyl-N-(4-methyl-3-pyridinyl)pyrrole-2-carboxamide
SMILESCc1ccncc1NC(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C14H14BrN3O/c1-9-4-5-16-7-12(9)17-14(19)13-6-10(15)8-18(13)11-2-3-11/h4-8,11H,2-3H2,1H3,(H,17,19)
InChIKeyADKKGIKWRASQRO-UHFFFAOYSA-N
XLogP3.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-cyclopropyl-N-(2-methyl-3-pyridinyl)pyrrole-2-carboxamide
CID 79044242
4-bromo-1-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]pyrrole-2-carboxamide
CID 114700587
4-bromo-1-cyclopropyl-N-(4-hydroxy-2,5-dimethylphenyl)pyrrole-2-carboxamide
CID 106954519
4-bromo-N-(3-chloro-4-methylphenyl)-1-cyclopropylpyrrole-2-carboxamide
CID 43640750
4-bromo-1-cyclopropyl-N-(2,4-dibromophenyl)pyrrole-2-carboxamide
CID 60954928
4-bromo-1-cyclopropyl-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide
CID 43641085
4-bromo-1-cyclopropyl-N-(3,4-dichlorophenyl)pyrrole-2-carboxamide
CID 43640889
4-bromo-1-cyclopropyl-N-(2,4,5-trifluorophenyl)pyrrole-2-carboxamide
CID 62814713
4-bromo-1-cyclopropyl-N-[2-(hydroxymethyl)phenyl]pyrrole-2-carboxamide
CID 60955186
4-bromo-1-cyclopropyl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
CID 43641323
4-bromo-1-cyclopropyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide
CID 113433723
4-bromo-1-cyclopropyl-N-(6-methoxy-3-pyridinyl)pyrrole-2-carboxamide
CID 43640546

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropyl-N-(4-methyl-3-pyridinyl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-cyclopropyl-N-(4-methyl-3-pyridinyl)pyrrole-2-carboxamide (CID 63327596) is 4-bromo-1-cyclopropyl-N-(4-methyl-3-pyridinyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-cyclopropyl-N-(4-methyl-3-pyridinyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-cyclopropyl-N-(4-methyl-3-pyridinyl)pyrrole-2-carboxamide is Cc1ccncc1NC(=O)c1cc(Br)cn1C1CC1.
What is the InChIKey of 4-bromo-1-cyclopropyl-N-(4-methyl-3-pyridinyl)pyrrole-2-carboxamide?
The InChIKey is ADKKGIKWRASQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-9-4-5-16-7-12(9)17-14(19)13-6-10(15)8-18(13)11-2-3-11/h4-8,11H,2-3H2,1H3,(H,17,19).
What are the key properties of 4-bromo-1-cyclopropyl-N-(4-methyl-3-pyridinyl)pyrrole-2-carboxamide?
4-bromo-1-cyclopropyl-N-(4-methyl-3-pyridinyl)pyrrole-2-carboxamide has a molecular weight of 320.19 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclopropyl-N-(4-methyl-3-pyridinyl)pyrrole-2-carboxamide is sourced from PubChem (CID 63327596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).