4-butyl-N-pyridin-3-ylbenzamide

C16H18N2O — CID 4286311

IUPAC4-butyl-N-pyridin-3-ylbenzamide
SMILESCCCCc1ccc(C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C16H18N2O/c1-2-3-5-13-7-9-14(10-8-13)16(19)18-15-6-4-11-17-12-15/h4,6-12H,2-3,5H2,1H3,(H,18,19)
InChIKeyKDHOWTVYQKITMO-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.68
Rot. Bonds5

About 4-butyl-N-pyridin-3-ylbenzamide

4-butyl-N-pyridin-3-ylbenzamide (PubChem CID 4286311) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-butyl-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-butyl-N-pyridin-3-ylbenzamide
PubChem CID4286311
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name4-butyl-N-pyridin-3-ylbenzamide
SMILESCCCCc1ccc(C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C16H18N2O/c1-2-3-5-13-7-9-14(10-8-13)16(19)18-15-6-4-11-17-12-15/h4,6-12H,2-3,5H2,1H3,(H,18,19)
InChIKeyKDHOWTVYQKITMO-UHFFFAOYSA-N
XLogP3.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-butyl-N-pyridin-3-ylbenzamide (CID 4286311) is 4-butyl-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-butyl-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-butyl-N-pyridin-3-ylbenzamide is CCCCc1ccc(C(=O)Nc2cccnc2)cc1.
What is the InChIKey of 4-butyl-N-pyridin-3-ylbenzamide?
The InChIKey is KDHOWTVYQKITMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-2-3-5-13-7-9-14(10-8-13)16(19)18-15-6-4-11-17-12-15/h4,6-12H,2-3,5H2,1H3,(H,18,19).
What are the key properties of 4-butyl-N-pyridin-3-ylbenzamide?
4-butyl-N-pyridin-3-ylbenzamide has a molecular weight of 254.33 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 4286311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).