N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-N-methylpyridine-3-carboxamide

C13H14BrN3O — CID 71920072

IUPACN-[(4-bromo-1-methylpyrrol-2-yl)methyl]-N-methylpyridine-3-carboxamide
SMILESCN(Cc1cc(Br)cn1C)C(=O)c1cccnc1
InChIInChI=1S/C13H14BrN3O/c1-16-8-11(14)6-12(16)9-17(2)13(18)10-4-3-5-15-7-10/h3-8H,9H2,1-2H3
InChIKeyJRTZFCMENVNBNC-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.45
Rot. Bonds3

About N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-N-methylpyridine-3-carboxamide

N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-N-methylpyridine-3-carboxamide (PubChem CID 71920072) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromo-1-methylpyrrol-2-yl)methyl]-N-methylpyridine-3-carboxamide
PubChem CID71920072
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC NameN-[(4-bromo-1-methylpyrrol-2-yl)methyl]-N-methylpyridine-3-carboxamide
SMILESCN(Cc1cc(Br)cn1C)C(=O)c1cccnc1
InChIInChI=1S/C13H14BrN3O/c1-16-8-11(14)6-12(16)9-17(2)13(18)10-4-3-5-15-7-10/h3-8H,9H2,1-2H3
InChIKeyJRTZFCMENVNBNC-UHFFFAOYSA-N
XLogP2.45
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-N-methylpyridine-3-carboxamide (CID 71920072) is N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-N-methylpyridine-3-carboxamide is CN(Cc1cc(Br)cn1C)C(=O)c1cccnc1.
What is the InChIKey of N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-N-methylpyridine-3-carboxamide?
The InChIKey is JRTZFCMENVNBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-16-8-11(14)6-12(16)9-17(2)13(18)10-4-3-5-15-7-10/h3-8H,9H2,1-2H3.
What are the key properties of N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-N-methylpyridine-3-carboxamide?
N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-N-methylpyridine-3-carboxamide has a molecular weight of 308.18 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 71920072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).