3-phenyl-N-pyridin-4-ylpropanamide

C14H14N2O — CID 814775

IUPAC3-phenyl-N-pyridin-4-ylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccncc1
InChIInChI=1S/C14H14N2O/c17-14(16-13-8-10-15-11-9-13)7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H,15,16,17)
InChIKeyHCTYHMHSTZFBDN-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.65
Rot. Bonds4

About 3-phenyl-N-pyridin-4-ylpropanamide

3-phenyl-N-pyridin-4-ylpropanamide (PubChem CID 814775) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-phenyl-N-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name3-phenyl-N-pyridin-4-ylpropanamide
PubChem CID814775
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name3-phenyl-N-pyridin-4-ylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccncc1
InChIInChI=1S/C14H14N2O/c17-14(16-13-8-10-15-11-9-13)7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H,15,16,17)
InChIKeyHCTYHMHSTZFBDN-UHFFFAOYSA-N
XLogP2.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-pyridin-4-ylpropanamide?
The IUPAC name of 3-phenyl-N-pyridin-4-ylpropanamide (CID 814775) is 3-phenyl-N-pyridin-4-ylpropanamide.
What is the SMILES notation for 3-phenyl-N-pyridin-4-ylpropanamide?
The canonical SMILES for 3-phenyl-N-pyridin-4-ylpropanamide is O=C(CCc1ccccc1)Nc1ccncc1.
What is the InChIKey of 3-phenyl-N-pyridin-4-ylpropanamide?
The InChIKey is HCTYHMHSTZFBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c17-14(16-13-8-10-15-11-9-13)7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H,15,16,17).
What are the key properties of 3-phenyl-N-pyridin-4-ylpropanamide?
3-phenyl-N-pyridin-4-ylpropanamide has a molecular weight of 226.28 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-pyridin-4-ylpropanamide is sourced from PubChem (CID 814775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).