N-(6-bromo-2-methyl-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide

C14H16BrN3O — CID 103909507

IUPACN-(6-bromo-2-methyl-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCc1nc(Br)ccc1NC(=O)c1cccn1C(C)C
InChIInChI=1S/C14H16BrN3O/c1-9(2)18-8-4-5-12(18)14(19)17-11-6-7-13(15)16-10(11)3/h4-9H,1-3H3,(H,17,19)
InChIKeyQCFUOAPDELHIDI-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.79
Rot. Bonds3

About N-(6-bromo-2-methyl-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide

N-(6-bromo-2-methyl-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 103909507) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is N-(6-bromo-2-methyl-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-2-methyl-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID103909507
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC NameN-(6-bromo-2-methyl-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCc1nc(Br)ccc1NC(=O)c1cccn1C(C)C
InChIInChI=1S/C14H16BrN3O/c1-9(2)18-8-4-5-12(18)14(19)17-11-6-7-13(15)16-10(11)3/h4-9H,1-3H3,(H,17,19)
InChIKeyQCFUOAPDELHIDI-UHFFFAOYSA-N
XLogP3.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-4-fluoro-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 103274919
4-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide
CID 113349883
N-(6-bromo-2-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 103909689
N-(3-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43639199
N-(4-methyl-1H-pyrazol-5-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 113342821
N-(2-chloro-4-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 103873896
N-(6-bromo-2-methyl-3-pyridinyl)-4-methylpentanamide
CID 103909752
N-(6-bromo-2-methyl-3-pyridinyl)-2-ethylbenzamide
CID 103909504
N-(6-bromo-2-methyl-3-pyridinyl)-2-iodo-3-methylbenzamide
CID 113349911
N-(6-bromo-2-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 103909634
N-(6-chloropyrimidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 114050020
N-(6-bromo-2-methyl-3-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104625308

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide (CID 103909507) is N-(6-bromo-2-methyl-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-(6-bromo-2-methyl-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for N-(6-bromo-2-methyl-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide is Cc1nc(Br)ccc1NC(=O)c1cccn1C(C)C.
What is the InChIKey of N-(6-bromo-2-methyl-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is QCFUOAPDELHIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-9(2)18-8-4-5-12(18)14(19)17-11-6-7-13(15)16-10(11)3/h4-9H,1-3H3,(H,17,19).
What are the key properties of N-(6-bromo-2-methyl-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide?
N-(6-bromo-2-methyl-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 322.21 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-methyl-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 103909507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).