4-(pentanoylamino)-N-pyridin-3-ylbenzamide

C17H19N3O2 — CID 2210459

IUPAC4-(pentanoylamino)-N-pyridin-3-ylbenzamide
SMILESCCCCC(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C17H19N3O2/c1-2-3-6-16(21)19-14-9-7-13(8-10-14)17(22)20-15-5-4-11-18-12-15/h4-5,7-12H,2-3,6H2,1H3,(H,19,21)(H,20,22)
InChIKeyIGCBCPHGLVHXKC-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.46
Rot. Bonds6

About 4-(pentanoylamino)-N-pyridin-3-ylbenzamide

4-(pentanoylamino)-N-pyridin-3-ylbenzamide (PubChem CID 2210459) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-(pentanoylamino)-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-(pentanoylamino)-N-pyridin-3-ylbenzamide
PubChem CID2210459
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name4-(pentanoylamino)-N-pyridin-3-ylbenzamide
SMILESCCCCC(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C17H19N3O2/c1-2-3-6-16(21)19-14-9-7-13(8-10-14)17(22)20-15-5-4-11-18-12-15/h4-5,7-12H,2-3,6H2,1H3,(H,19,21)(H,20,22)
InChIKeyIGCBCPHGLVHXKC-UHFFFAOYSA-N
XLogP3.46
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(pentanoylamino)-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-(pentanoylamino)-N-pyridin-3-ylbenzamide (CID 2210459) is 4-(pentanoylamino)-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-(pentanoylamino)-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-(pentanoylamino)-N-pyridin-3-ylbenzamide is CCCCC(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1.
What is the InChIKey of 4-(pentanoylamino)-N-pyridin-3-ylbenzamide?
The InChIKey is IGCBCPHGLVHXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-2-3-6-16(21)19-14-9-7-13(8-10-14)17(22)20-15-5-4-11-18-12-15/h4-5,7-12H,2-3,6H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 4-(pentanoylamino)-N-pyridin-3-ylbenzamide?
4-(pentanoylamino)-N-pyridin-3-ylbenzamide has a molecular weight of 297.36 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pentanoylamino)-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 2210459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).