4-chloro-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide

C11H10ClN3O — CID 18107264

IUPAC4-chloro-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc(Cl)c[nH]2)n1
InChIInChI=1S/C11H10ClN3O/c1-7-3-2-4-10(14-7)15-11(16)9-5-8(12)6-13-9/h2-6,13H,1H3,(H,14,15,16)
InChIKeyJSEAAUICTOUBNO-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.62
Rot. Bonds2

About 4-chloro-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide

4-chloro-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide (PubChem CID 18107264) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 4-chloro-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide
PubChem CID18107264
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name4-chloro-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc(Cl)c[nH]2)n1
InChIInChI=1S/C11H10ClN3O/c1-7-3-2-4-10(14-7)15-11(16)9-5-8(12)6-13-9/h2-6,13H,1H3,(H,14,15,16)
InChIKeyJSEAAUICTOUBNO-UHFFFAOYSA-N
XLogP2.62
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide (CID 18107264) is 4-chloro-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide is Cc1cccc(NC(=O)c2cc(Cl)c[nH]2)n1.
What is the InChIKey of 4-chloro-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide?
The InChIKey is JSEAAUICTOUBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c1-7-3-2-4-10(14-7)15-11(16)9-5-8(12)6-13-9/h2-6,13H,1H3,(H,14,15,16).
What are the key properties of 4-chloro-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide?
4-chloro-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide has a molecular weight of 235.67 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 18107264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).