N-[4-oxo-4-(pyridin-3-ylamino)butyl]benzamide

C16H17N3O2 — CID 39761141

IUPACN-[4-oxo-4-(pyridin-3-ylamino)butyl]benzamide
SMILESO=C(CCCNC(=O)c1ccccc1)Nc1cccnc1
InChIInChI=1S/C16H17N3O2/c20-15(19-14-8-4-10-17-12-14)9-5-11-18-16(21)13-6-2-1-3-7-13/h1-4,6-8,10,12H,5,9,11H2,(H,18,21)(H,19,20)
InChIKeyXTVONSRPOHLQLE-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.23
Rot. Bonds6

About N-[4-oxo-4-(pyridin-3-ylamino)butyl]benzamide

N-[4-oxo-4-(pyridin-3-ylamino)butyl]benzamide (PubChem CID 39761141) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[4-oxo-4-(pyridin-3-ylamino)butyl]benzamide.

Molecular Properties

Compound NameN-[4-oxo-4-(pyridin-3-ylamino)butyl]benzamide
PubChem CID39761141
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[4-oxo-4-(pyridin-3-ylamino)butyl]benzamide
SMILESO=C(CCCNC(=O)c1ccccc1)Nc1cccnc1
InChIInChI=1S/C16H17N3O2/c20-15(19-14-8-4-10-17-12-14)9-5-11-18-16(21)13-6-2-1-3-7-13/h1-4,6-8,10,12H,5,9,11H2,(H,18,21)(H,19,20)
InChIKeyXTVONSRPOHLQLE-UHFFFAOYSA-N
XLogP2.23
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-anilino-6-oxohexyl)-2-sulfanylbenzamide;N-[6-oxo-6-(pyridin-3-ylamino)hexyl]-2-sulfanylbenzamide
CID 144697898
4-(4-benzamidobutanoylamino)benzamide
CID 29374160
N-[4-(4-benzamidobutanoylamino)-2-methoxyphenyl]pyridine-3-carboxamide
CID 33492420
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
N-(2-phenylethyl)-N'-pyridin-3-ylbutanediamide
CID 51362474
N-[2-oxo-2-(pyridin-3-ylamino)ethyl]-4-phenoxybenzamide
CID 4788207
methyl 3-(4-benzamidobutanoylamino)benzoate
CID 39769177
N-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide
CID 35032384
3-acetamido-N-pyridin-3-ylpropanamide
CID 91801519
4-(pyridine-3-carbonylamino)butanoate
CID 4586549
N-[4-[3-(1H-imidazol-2-yl)anilino]-4-oxobutyl]benzamide
CID 56826380
N-(4-hydrazinyl-4-oxobutyl)benzamide
CID 4736868

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-(pyridin-3-ylamino)butyl]benzamide?
The IUPAC name of N-[4-oxo-4-(pyridin-3-ylamino)butyl]benzamide (CID 39761141) is N-[4-oxo-4-(pyridin-3-ylamino)butyl]benzamide.
What is the SMILES notation for N-[4-oxo-4-(pyridin-3-ylamino)butyl]benzamide?
The canonical SMILES for N-[4-oxo-4-(pyridin-3-ylamino)butyl]benzamide is O=C(CCCNC(=O)c1ccccc1)Nc1cccnc1.
What is the InChIKey of N-[4-oxo-4-(pyridin-3-ylamino)butyl]benzamide?
The InChIKey is XTVONSRPOHLQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-15(19-14-8-4-10-17-12-14)9-5-11-18-16(21)13-6-2-1-3-7-13/h1-4,6-8,10,12H,5,9,11H2,(H,18,21)(H,19,20).
What are the key properties of N-[4-oxo-4-(pyridin-3-ylamino)butyl]benzamide?
N-[4-oxo-4-(pyridin-3-ylamino)butyl]benzamide has a molecular weight of 283.33 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-(pyridin-3-ylamino)butyl]benzamide is sourced from PubChem (CID 39761141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).