4-propanoyl-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide

C14H15N3O2 — CID 4681816

IUPAC4-propanoyl-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESCCC(=O)c1c[nH]c(C(=O)NCc2cccnc2)c1
InChIInChI=1S/C14H15N3O2/c1-2-13(18)11-6-12(16-9-11)14(19)17-8-10-4-3-5-15-7-10/h3-7,9,16H,2,8H2,1H3,(H,17,19)
InChIKeyVTKMDTYNYACQQU-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.93
Rot. Bonds5

About 4-propanoyl-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide

4-propanoyl-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide (PubChem CID 4681816) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-propanoyl-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-propanoyl-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
PubChem CID4681816
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-propanoyl-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESCCC(=O)c1c[nH]c(C(=O)NCc2cccnc2)c1
InChIInChI=1S/C14H15N3O2/c1-2-13(18)11-6-12(16-9-11)14(19)17-8-10-4-3-5-15-7-10/h3-7,9,16H,2,8H2,1H3,(H,17,19)
InChIKeyVTKMDTYNYACQQU-UHFFFAOYSA-N
XLogP1.93
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propanoyl-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-propanoyl-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide (CID 4681816) is 4-propanoyl-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-propanoyl-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-propanoyl-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide is CCC(=O)c1c[nH]c(C(=O)NCc2cccnc2)c1.
What is the InChIKey of 4-propanoyl-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is VTKMDTYNYACQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-2-13(18)11-6-12(16-9-11)14(19)17-8-10-4-3-5-15-7-10/h3-7,9,16H,2,8H2,1H3,(H,17,19).
What are the key properties of 4-propanoyl-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide?
4-propanoyl-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propanoyl-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 4681816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).