N-phenyl-3-(1-pyridin-2-ylethylamino)propanamide

C16H19N3O — CID 119106523

IUPACN-phenyl-3-(1-pyridin-2-ylethylamino)propanamide
SMILESCC(NCCC(=O)Nc1ccccc1)c1ccccn1
InChIInChI=1S/C16H19N3O/c1-13(15-9-5-6-11-18-15)17-12-10-16(20)19-14-7-3-2-4-8-14/h2-9,11,13,17H,10,12H2,1H3,(H,19,20)
InChIKeyGXTHYQDUDMJECP-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.76
Rot. Bonds6

About N-phenyl-3-(1-pyridin-2-ylethylamino)propanamide

N-phenyl-3-(1-pyridin-2-ylethylamino)propanamide (PubChem CID 119106523) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-phenyl-3-(1-pyridin-2-ylethylamino)propanamide.

Molecular Properties

Compound NameN-phenyl-3-(1-pyridin-2-ylethylamino)propanamide
PubChem CID119106523
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-phenyl-3-(1-pyridin-2-ylethylamino)propanamide
SMILESCC(NCCC(=O)Nc1ccccc1)c1ccccn1
InChIInChI=1S/C16H19N3O/c1-13(15-9-5-6-11-18-15)17-12-10-16(20)19-14-7-3-2-4-8-14/h2-9,11,13,17H,10,12H2,1H3,(H,19,20)
InChIKeyGXTHYQDUDMJECP-UHFFFAOYSA-N
XLogP2.76
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoic acid
CID 81406743
N-phenyl-3-(1-phenylethylamino)propanamide
CID 109020280
N-(4-methylphenyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]acetamide
CID 81406656
methyl 3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoate
CID 81407588
methyl 3-[[(1S)-1-pyridin-2-ylethyl]amino]propanoate
CID 81401680
N-(4-bromophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide
CID 81401760
N-[4-(1-pyridin-2-ylethylamino)phenyl]propanamide
CID 43720633
N-(4-methoxyphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide
CID 81393069
ethyl 3-[[(1S)-1-pyridin-2-ylethyl]amino]propanoate
CID 81401378
N-(3-chlorophenyl)-2-(1-pyridin-2-ylethylamino)acetamide
CID 43396868
N-(3-fluorophenyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]acetamide
CID 81407084
2-[2-ethoxy-4-[(1-pyridin-2-ylethylamino)methyl]phenoxy]-N-phenylacetamide
CID 47008244

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-(1-pyridin-2-ylethylamino)propanamide?
The IUPAC name of N-phenyl-3-(1-pyridin-2-ylethylamino)propanamide (CID 119106523) is N-phenyl-3-(1-pyridin-2-ylethylamino)propanamide.
What is the SMILES notation for N-phenyl-3-(1-pyridin-2-ylethylamino)propanamide?
The canonical SMILES for N-phenyl-3-(1-pyridin-2-ylethylamino)propanamide is CC(NCCC(=O)Nc1ccccc1)c1ccccn1.
What is the InChIKey of N-phenyl-3-(1-pyridin-2-ylethylamino)propanamide?
The InChIKey is GXTHYQDUDMJECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-13(15-9-5-6-11-18-15)17-12-10-16(20)19-14-7-3-2-4-8-14/h2-9,11,13,17H,10,12H2,1H3,(H,19,20).
What are the key properties of N-phenyl-3-(1-pyridin-2-ylethylamino)propanamide?
N-phenyl-3-(1-pyridin-2-ylethylamino)propanamide has a molecular weight of 269.35 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-(1-pyridin-2-ylethylamino)propanamide is sourced from PubChem (CID 119106523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).