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

C15H16BrN3O — CID 62989655

IUPAC4-bromo-1-cyclopropyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrole-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(Br)cn2C2CC2)cn1
InChIInChI=1S/C15H16BrN3O/c1-10-2-3-11(7-17-10)8-18-15(20)14-6-12(16)9-19(14)13-4-5-13/h2-3,6-7,9,13H,4-5,8H2,1H3,(H,18,20)
InChIKeyIYQUSLVBAVKIEA-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.22
Rot. Bonds4

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

4-bromo-1-cyclopropyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrole-2-carboxamide (PubChem CID 62989655) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 4-bromo-1-cyclopropyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-cyclopropyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrole-2-carboxamide
PubChem CID62989655
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name4-bromo-1-cyclopropyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrole-2-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(Br)cn2C2CC2)cn1
InChIInChI=1S/C15H16BrN3O/c1-10-2-3-11(7-17-10)8-18-15(20)14-6-12(16)9-19(14)13-4-5-13/h2-3,6-7,9,13H,4-5,8H2,1H3,(H,18,20)
InChIKeyIYQUSLVBAVKIEA-UHFFFAOYSA-N
XLogP3.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-cyclopropyl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
CID 43641323
4-bromo-1-ethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrole-2-carboxamide
CID 62727673
4-bromo-1-cyclopropyl-N-[(3-methyl-4-pyridinyl)methyl]pyrrole-2-carboxamide
CID 114700587
N-[(4-bromophenyl)methyl]-4-chloro-1-cyclopropylpyrrole-2-carboxamide
CID 61401000
4-bromo-1-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]pyrrole-2-carboxamide
CID 61018427
4-bromo-1-cyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrrole-2-carboxamide
CID 80683115
4-bromo-1-cyclopropyl-N-(2-methoxyethyl)pyrrole-2-carboxamide
CID 43640614
4-bromo-1-cyclopropyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrrole-2-carboxamide
CID 103007204
4-bromo-1-cyclopropyl-N-[(2-methoxyphenyl)methyl]pyrrole-2-carboxamide
CID 43640775
4-amino-1-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrole-2-carboxamide
CID 55142255
4-amino-1-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrole-2-carboxamide
CID 43642445
4-bromo-1-cyclopropyl-N-(2-methyl-3-pyridinyl)pyrrole-2-carboxamide
CID 79044242

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-cyclopropyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrole-2-carboxamide (CID 62989655) is 4-bromo-1-cyclopropyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-cyclopropyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-cyclopropyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrole-2-carboxamide is Cc1ccc(CNC(=O)c2cc(Br)cn2C2CC2)cn1.
What is the InChIKey of 4-bromo-1-cyclopropyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrole-2-carboxamide?
The InChIKey is IYQUSLVBAVKIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-10-2-3-11(7-17-10)8-18-15(20)14-6-12(16)9-19(14)13-4-5-13/h2-3,6-7,9,13H,4-5,8H2,1H3,(H,18,20).
What are the key properties of 4-bromo-1-cyclopropyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrole-2-carboxamide?
4-bromo-1-cyclopropyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrole-2-carboxamide has a molecular weight of 334.22 g/mol, XLogP of 3.22, 4 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-[(6-methyl-3-pyridinyl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 62989655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).