N-[5-(1-phenylethylamino)-2-pyridinyl]butanamide

C17H21N3O — CID 113026778

IUPACN-[5-(1-phenylethylamino)-2-pyridinyl]butanamide
SMILESCCCC(=O)Nc1ccc(NC(C)c2ccccc2)cn1
InChIInChI=1S/C17H21N3O/c1-3-7-17(21)20-16-11-10-15(12-18-16)19-13(2)14-8-5-4-6-9-14/h4-6,8-13,19H,3,7H2,1-2H3,(H,18,20,21)
InChIKeyVXKFKHUUICBWGK-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.99
Rot. Bonds6

About N-[5-(1-phenylethylamino)-2-pyridinyl]butanamide

N-[5-(1-phenylethylamino)-2-pyridinyl]butanamide (PubChem CID 113026778) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[5-(1-phenylethylamino)-2-pyridinyl]butanamide.

Molecular Properties

Compound NameN-[5-(1-phenylethylamino)-2-pyridinyl]butanamide
PubChem CID113026778
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[5-(1-phenylethylamino)-2-pyridinyl]butanamide
SMILESCCCC(=O)Nc1ccc(NC(C)c2ccccc2)cn1
InChIInChI=1S/C17H21N3O/c1-3-7-17(21)20-16-11-10-15(12-18-16)19-13(2)14-8-5-4-6-9-14/h4-6,8-13,19H,3,7H2,1-2H3,(H,18,20,21)
InChIKeyVXKFKHUUICBWGK-UHFFFAOYSA-N
XLogP3.99
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-N-[5-(1-phenylethylamino)-2-pyridinyl]acetamide
CID 113026808
3-methyl-N-[5-(1-phenylethylamino)-2-pyridinyl]butanamide
CID 113026782
N-[5-(butan-2-ylamino)-2-pyridinyl]butanamide
CID 113024217
2-fluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide
CID 113026793
ethyl N-[6-(1-phenylethylamino)-3-pyridinyl]carbamate
CID 113011907
N-[6-(1-phenylethylamino)pyridazin-3-yl]pentanamide
CID 113041159
1-cyclohexyl-3-[5-(1-phenylethylamino)-2-pyridinyl]urea
CID 113026834
3,4-difluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide
CID 113026825
N-(5-anilino-2-pyridinyl)pentanamide
CID 113031172
N-[4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyrazol-1-ylpropanamide
CID 97089030
N-[6-(butanoylamino)-3-pyridinyl]-2,2-dimethylpropanamide
CID 1452758
N-[5-(2-phenylethynyl)-2-pyridinyl]butanamide
CID 71548245

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-phenylethylamino)-2-pyridinyl]butanamide?
The IUPAC name of N-[5-(1-phenylethylamino)-2-pyridinyl]butanamide (CID 113026778) is N-[5-(1-phenylethylamino)-2-pyridinyl]butanamide.
What is the SMILES notation for N-[5-(1-phenylethylamino)-2-pyridinyl]butanamide?
The canonical SMILES for N-[5-(1-phenylethylamino)-2-pyridinyl]butanamide is CCCC(=O)Nc1ccc(NC(C)c2ccccc2)cn1.
What is the InChIKey of N-[5-(1-phenylethylamino)-2-pyridinyl]butanamide?
The InChIKey is VXKFKHUUICBWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-7-17(21)20-16-11-10-15(12-18-16)19-13(2)14-8-5-4-6-9-14/h4-6,8-13,19H,3,7H2,1-2H3,(H,18,20,21).
What are the key properties of N-[5-(1-phenylethylamino)-2-pyridinyl]butanamide?
N-[5-(1-phenylethylamino)-2-pyridinyl]butanamide has a molecular weight of 283.38 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-phenylethylamino)-2-pyridinyl]butanamide is sourced from PubChem (CID 113026778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).