4-bromo-1-cyclopropyl-N-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide

C15H16BrN3O — CID 43641731

IUPAC4-bromo-1-cyclopropyl-N-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
SMILESCN(Cc1ccccn1)C(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C15H16BrN3O/c1-18(10-12-4-2-3-7-17-12)15(20)14-8-11(16)9-19(14)13-5-6-13/h2-4,7-9,13H,5-6,10H2,1H3
InChIKeyYJQUNVLIGRIWQY-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.25
Rot. Bonds4

About 4-bromo-1-cyclopropyl-N-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide

4-bromo-1-cyclopropyl-N-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide (PubChem CID 43641731) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 4-bromo-1-cyclopropyl-N-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-cyclopropyl-N-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
PubChem CID43641731
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name4-bromo-1-cyclopropyl-N-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
SMILESCN(Cc1ccccn1)C(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C15H16BrN3O/c1-18(10-12-4-2-3-7-17-12)15(20)14-8-11(16)9-19(14)13-5-6-13/h2-4,7-9,13H,5-6,10H2,1H3
InChIKeyYJQUNVLIGRIWQY-UHFFFAOYSA-N
XLogP3.25
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 107423972
4-bromo-1-cyclopropyl-N-methyl-N-(2-methyloxolan-3-yl)pyrrole-2-carboxamide
CID 82738456
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropyl-N-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-cyclopropyl-N-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide (CID 43641731) is 4-bromo-1-cyclopropyl-N-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-cyclopropyl-N-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-cyclopropyl-N-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide is CN(Cc1ccccn1)C(=O)c1cc(Br)cn1C1CC1.
What is the InChIKey of 4-bromo-1-cyclopropyl-N-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is YJQUNVLIGRIWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-18(10-12-4-2-3-7-17-12)15(20)14-8-11(16)9-19(14)13-5-6-13/h2-4,7-9,13H,5-6,10H2,1H3.
What are the key properties of 4-bromo-1-cyclopropyl-N-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide?
4-bromo-1-cyclopropyl-N-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 334.22 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclopropyl-N-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 43641731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).