4-phenyl-N-(pyridin-3-ylmethyl)butanamide

C16H18N2O — CID 836347

IUPAC4-phenyl-N-(pyridin-3-ylmethyl)butanamide
SMILESO=C(CCCc1ccccc1)NCc1cccnc1
InChIInChI=1S/C16H18N2O/c19-16(18-13-15-9-5-11-17-12-15)10-4-8-14-6-2-1-3-7-14/h1-3,5-7,9,11-12H,4,8,10,13H2,(H,18,19)
InChIKeyKMCMCNLMKQNFEX-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.72
Rot. Bonds6

About 4-phenyl-N-(pyridin-3-ylmethyl)butanamide

4-phenyl-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 836347) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-phenyl-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name4-phenyl-N-(pyridin-3-ylmethyl)butanamide
PubChem CID836347
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name4-phenyl-N-(pyridin-3-ylmethyl)butanamide
SMILESO=C(CCCc1ccccc1)NCc1cccnc1
InChIInChI=1S/C16H18N2O/c19-16(18-13-15-9-5-11-17-12-15)10-4-8-14-6-2-1-3-7-14/h1-3,5-7,9,11-12H,4,8,10,13H2,(H,18,19)
InChIKeyKMCMCNLMKQNFEX-UHFFFAOYSA-N
XLogP2.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of 4-phenyl-N-(pyridin-3-ylmethyl)butanamide (CID 836347) is 4-phenyl-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for 4-phenyl-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for 4-phenyl-N-(pyridin-3-ylmethyl)butanamide is O=C(CCCc1ccccc1)NCc1cccnc1.
What is the InChIKey of 4-phenyl-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is KMCMCNLMKQNFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c19-16(18-13-15-9-5-11-17-12-15)10-4-8-14-6-2-1-3-7-14/h1-3,5-7,9,11-12H,4,8,10,13H2,(H,18,19).
What are the key properties of 4-phenyl-N-(pyridin-3-ylmethyl)butanamide?
4-phenyl-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 254.33 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 836347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).