3-pyridin-2-yl-N-(2-pyrrol-1-ylethyl)propanamide

C14H17N3O — CID 71980053

IUPAC3-pyridin-2-yl-N-(2-pyrrol-1-ylethyl)propanamide
SMILESO=C(CCc1ccccn1)NCCn1cccc1
InChIInChI=1S/C14H17N3O/c18-14(7-6-13-5-1-2-8-15-13)16-9-12-17-10-3-4-11-17/h1-5,8,10-11H,6-7,9,12H2,(H,16,18)
InChIKeyIRWYQNZNASOTNE-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.63
Rot. Bonds6

About 3-pyridin-2-yl-N-(2-pyrrol-1-ylethyl)propanamide

3-pyridin-2-yl-N-(2-pyrrol-1-ylethyl)propanamide (PubChem CID 71980053) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-pyridin-2-yl-N-(2-pyrrol-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-pyridin-2-yl-N-(2-pyrrol-1-ylethyl)propanamide
PubChem CID71980053
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-pyridin-2-yl-N-(2-pyrrol-1-ylethyl)propanamide
SMILESO=C(CCc1ccccn1)NCCn1cccc1
InChIInChI=1S/C14H17N3O/c18-14(7-6-13-5-1-2-8-15-13)16-9-12-17-10-3-4-11-17/h1-5,8,10-11H,6-7,9,12H2,(H,16,18)
InChIKeyIRWYQNZNASOTNE-UHFFFAOYSA-N
XLogP1.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-N-(2-pyrrol-1-ylethyl)propanamide?
The IUPAC name of 3-pyridin-2-yl-N-(2-pyrrol-1-ylethyl)propanamide (CID 71980053) is 3-pyridin-2-yl-N-(2-pyrrol-1-ylethyl)propanamide.
What is the SMILES notation for 3-pyridin-2-yl-N-(2-pyrrol-1-ylethyl)propanamide?
The canonical SMILES for 3-pyridin-2-yl-N-(2-pyrrol-1-ylethyl)propanamide is O=C(CCc1ccccn1)NCCn1cccc1.
What is the InChIKey of 3-pyridin-2-yl-N-(2-pyrrol-1-ylethyl)propanamide?
The InChIKey is IRWYQNZNASOTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c18-14(7-6-13-5-1-2-8-15-13)16-9-12-17-10-3-4-11-17/h1-5,8,10-11H,6-7,9,12H2,(H,16,18).
What are the key properties of 3-pyridin-2-yl-N-(2-pyrrol-1-ylethyl)propanamide?
3-pyridin-2-yl-N-(2-pyrrol-1-ylethyl)propanamide has a molecular weight of 243.31 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-N-(2-pyrrol-1-ylethyl)propanamide is sourced from PubChem (CID 71980053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).