N-[6-(aminomethyl)-2-pyridinyl]-4-oxo-4-phenylbutanamide

C16H17N3O2 — CID 82343885

IUPACN-[6-(aminomethyl)-2-pyridinyl]-4-oxo-4-phenylbutanamide
SMILESNCc1cccc(NC(=O)CCC(=O)c2ccccc2)n1
InChIInChI=1S/C16H17N3O2/c17-11-13-7-4-8-15(18-13)19-16(21)10-9-14(20)12-5-2-1-3-6-12/h1-8H,9-11,17H2,(H,18,19,21)
InChIKeyATTVGIPMCKEEBA-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.14
Rot. Bonds6

About N-[6-(aminomethyl)-2-pyridinyl]-4-oxo-4-phenylbutanamide

N-[6-(aminomethyl)-2-pyridinyl]-4-oxo-4-phenylbutanamide (PubChem CID 82343885) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[6-(aminomethyl)-2-pyridinyl]-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-[6-(aminomethyl)-2-pyridinyl]-4-oxo-4-phenylbutanamide
PubChem CID82343885
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[6-(aminomethyl)-2-pyridinyl]-4-oxo-4-phenylbutanamide
SMILESNCc1cccc(NC(=O)CCC(=O)c2ccccc2)n1
InChIInChI=1S/C16H17N3O2/c17-11-13-7-4-8-15(18-13)19-16(21)10-9-14(20)12-5-2-1-3-6-12/h1-8H,9-11,17H2,(H,18,19,21)
InChIKeyATTVGIPMCKEEBA-UHFFFAOYSA-N
XLogP2.14
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[6-(aminomethyl)-2-pyridinyl]acetamide
CID 83618831
4-oxo-N,4-diphenylbutanamide
CID 825307
N-[6-(aminomethyl)-2-pyridinyl]-3-methylbutanamide
CID 82343819
N-(6-ethyl-2-pyridinyl)butanamide
CID 66596264
N-[6-(hydroxymethyl)-2-pyridinyl]benzamide
CID 82343745
4-[(4-oxo-4-phenylbutanoyl)amino]benzamide
CID 9441934
N-[6-(aminomethyl)-2-pyridinyl]-2-methylbenzamide
CID 82343825
N-(5-methyl-2-pyridinyl)-4-oxo-4-phenylbutanamide
CID 35022311
N-(3-acetamidophenyl)-4-oxo-4-phenylbutanamide
CID 17418766
5-oxo-5-phenyl-N-pyridin-2-ylpentanamide
CID 108796237
N-[6-(aminomethyl)-2-pyridinyl]-2-cyclohexylacetamide
CID 82343887
N-(3-methylphenyl)-4-oxo-4-phenylbutanamide
CID 7779680

Frequently Asked Questions

What is the IUPAC name of N-[6-(aminomethyl)-2-pyridinyl]-4-oxo-4-phenylbutanamide?
The IUPAC name of N-[6-(aminomethyl)-2-pyridinyl]-4-oxo-4-phenylbutanamide (CID 82343885) is N-[6-(aminomethyl)-2-pyridinyl]-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-[6-(aminomethyl)-2-pyridinyl]-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-[6-(aminomethyl)-2-pyridinyl]-4-oxo-4-phenylbutanamide is NCc1cccc(NC(=O)CCC(=O)c2ccccc2)n1.
What is the InChIKey of N-[6-(aminomethyl)-2-pyridinyl]-4-oxo-4-phenylbutanamide?
The InChIKey is ATTVGIPMCKEEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c17-11-13-7-4-8-15(18-13)19-16(21)10-9-14(20)12-5-2-1-3-6-12/h1-8H,9-11,17H2,(H,18,19,21).
What are the key properties of N-[6-(aminomethyl)-2-pyridinyl]-4-oxo-4-phenylbutanamide?
N-[6-(aminomethyl)-2-pyridinyl]-4-oxo-4-phenylbutanamide has a molecular weight of 283.33 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(aminomethyl)-2-pyridinyl]-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 82343885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).