N-(5-bromo-3-methyl-2-pyridinyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide

C14H15BrClN3O — CID 83171095

IUPACN-(5-bromo-3-methyl-2-pyridinyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide
SMILESCc1cc(Br)cnc1NC(=O)c1cc(Cl)cn1C(C)C
InChIInChI=1S/C14H15BrClN3O/c1-8(2)19-7-11(16)5-12(19)14(20)18-13-9(3)4-10(15)6-17-13/h4-8H,1-3H3,(H,17,18,20)
InChIKeyRJUQTZFAKLXREU-UHFFFAOYSA-N
MW356.65 g/mol
LogP4.44
Rot. Bonds3

About N-(5-bromo-3-methyl-2-pyridinyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide

N-(5-bromo-3-methyl-2-pyridinyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 83171095) has the molecular formula C14H15BrClN3O and a molecular weight of 356.65 g/mol. Its IUPAC name is N-(5-bromo-3-methyl-2-pyridinyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-3-methyl-2-pyridinyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID83171095
Molecular FormulaC14H15BrClN3O
Molecular Weight356.65 g/mol
Exact Mass355.01
IUPAC NameN-(5-bromo-3-methyl-2-pyridinyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide
SMILESCc1cc(Br)cnc1NC(=O)c1cc(Cl)cn1C(C)C
InChIInChI=1S/C14H15BrClN3O/c1-8(2)19-7-11(16)5-12(19)14(20)18-13-9(3)4-10(15)6-17-13/h4-8H,1-3H3,(H,17,18,20)
InChIKeyRJUQTZFAKLXREU-UHFFFAOYSA-N
XLogP4.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.65
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide (CID 83171095) is N-(5-bromo-3-methyl-2-pyridinyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-(5-bromo-3-methyl-2-pyridinyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for N-(5-bromo-3-methyl-2-pyridinyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide is Cc1cc(Br)cnc1NC(=O)c1cc(Cl)cn1C(C)C.
What is the InChIKey of N-(5-bromo-3-methyl-2-pyridinyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is RJUQTZFAKLXREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3O/c1-8(2)19-7-11(16)5-12(19)14(20)18-13-9(3)4-10(15)6-17-13/h4-8H,1-3H3,(H,17,18,20).
What are the key properties of N-(5-bromo-3-methyl-2-pyridinyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide?
N-(5-bromo-3-methyl-2-pyridinyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 356.65 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-methyl-2-pyridinyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 83171095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).