1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide

C12H13N3O — CID 25162877

IUPAC1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCc1ccccn1
InChIInChI=1S/C12H13N3O/c1-15-8-4-6-11(15)12(16)14-9-10-5-2-3-7-13-10/h2-8H,9H2,1H3,(H,14,16)
InChIKeyVPWQMGOZUBVAAZ-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.35
Rot. Bonds3

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

1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide (PubChem CID 25162877) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
PubChem CID25162877
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCc1ccccn1
InChIInChI=1S/C12H13N3O/c1-15-8-4-6-11(15)12(16)14-9-10-5-2-3-7-13-10/h2-8H,9H2,1H3,(H,14,16)
InChIKeyVPWQMGOZUBVAAZ-UHFFFAOYSA-N
XLogP1.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide (CID 25162877) is 1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide is Cn1cccc1C(=O)NCc1ccccn1.
What is the InChIKey of 1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is VPWQMGOZUBVAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-15-8-4-6-11(15)12(16)14-9-10-5-2-3-7-13-10/h2-8H,9H2,1H3,(H,14,16).
What are the key properties of 1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide?
1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 215.26 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 25162877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).