3-phenyl-N-pyridin-3-yl-2-pyrrol-1-ylpropanamide

C18H17N3O — CID 5309757

IUPAC3-phenyl-N-pyridin-3-yl-2-pyrrol-1-ylpropanamide
SMILESO=C(Nc1cccnc1)C(Cc1ccccc1)n1cccc1
InChIInChI=1S/C18H17N3O/c22-18(20-16-9-6-10-19-14-16)17(21-11-4-5-12-21)13-15-7-2-1-3-8-15/h1-12,14,17H,13H2,(H,20,22)
InChIKeyNSRPHMRSVABIIX-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.31
Rot. Bonds5

About 3-phenyl-N-pyridin-3-yl-2-pyrrol-1-ylpropanamide

3-phenyl-N-pyridin-3-yl-2-pyrrol-1-ylpropanamide (PubChem CID 5309757) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-phenyl-N-pyridin-3-yl-2-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name3-phenyl-N-pyridin-3-yl-2-pyrrol-1-ylpropanamide
PubChem CID5309757
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name3-phenyl-N-pyridin-3-yl-2-pyrrol-1-ylpropanamide
SMILESO=C(Nc1cccnc1)C(Cc1ccccc1)n1cccc1
InChIInChI=1S/C18H17N3O/c22-18(20-16-9-6-10-19-14-16)17(21-11-4-5-12-21)13-15-7-2-1-3-8-15/h1-12,14,17H,13H2,(H,20,22)
InChIKeyNSRPHMRSVABIIX-UHFFFAOYSA-N
XLogP3.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-pyridin-3-yl-2-pyrrol-1-ylpropanamide?
The IUPAC name of 3-phenyl-N-pyridin-3-yl-2-pyrrol-1-ylpropanamide (CID 5309757) is 3-phenyl-N-pyridin-3-yl-2-pyrrol-1-ylpropanamide.
What is the SMILES notation for 3-phenyl-N-pyridin-3-yl-2-pyrrol-1-ylpropanamide?
The canonical SMILES for 3-phenyl-N-pyridin-3-yl-2-pyrrol-1-ylpropanamide is O=C(Nc1cccnc1)C(Cc1ccccc1)n1cccc1.
What is the InChIKey of 3-phenyl-N-pyridin-3-yl-2-pyrrol-1-ylpropanamide?
The InChIKey is NSRPHMRSVABIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c22-18(20-16-9-6-10-19-14-16)17(21-11-4-5-12-21)13-15-7-2-1-3-8-15/h1-12,14,17H,13H2,(H,20,22).
What are the key properties of 3-phenyl-N-pyridin-3-yl-2-pyrrol-1-ylpropanamide?
3-phenyl-N-pyridin-3-yl-2-pyrrol-1-ylpropanamide has a molecular weight of 291.35 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-pyridin-3-yl-2-pyrrol-1-ylpropanamide is sourced from PubChem (CID 5309757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).