N-(2-amino-2-phenylethyl)-2-pyridin-3-ylpropanamide

C16H19N3O — CID 119527846

IUPACN-(2-amino-2-phenylethyl)-2-pyridin-3-ylpropanamide
SMILESCC(C(=O)NCC(N)c1ccccc1)c1cccnc1
InChIInChI=1S/C16H19N3O/c1-12(14-8-5-9-18-10-14)16(20)19-11-15(17)13-6-3-2-4-7-13/h2-10,12,15H,11,17H2,1H3,(H,19,20)
InChIKeyLIEXGYSRMJRKFJ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.00
Rot. Bonds5

About N-(2-amino-2-phenylethyl)-2-pyridin-3-ylpropanamide

N-(2-amino-2-phenylethyl)-2-pyridin-3-ylpropanamide (PubChem CID 119527846) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-2-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-2-pyridin-3-ylpropanamide
PubChem CID119527846
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-(2-amino-2-phenylethyl)-2-pyridin-3-ylpropanamide
SMILESCC(C(=O)NCC(N)c1ccccc1)c1cccnc1
InChIInChI=1S/C16H19N3O/c1-12(14-8-5-9-18-10-14)16(20)19-11-15(17)13-6-3-2-4-7-13/h2-10,12,15H,11,17H2,1H3,(H,19,20)
InChIKeyLIEXGYSRMJRKFJ-UHFFFAOYSA-N
XLogP2.00
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(methylamino)ethyl]-2-pyridin-3-ylpropanamide
CID 119500824
2-pyridin-3-ylpropanehydrazide
CID 116843938
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylpropanamide
CID 9153191
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide;dihydrochloride
CID 119526338
(2S)-2-amino-N-(2-amino-2-phenylethyl)-3,3-dimethylbutanamide
CID 122080430
(2-amino-2-phenylethyl)carbamic acid
CID 66941802
N-(2-amino-2-phenylethyl)-2-(dimethylamino)-3-methylbutanamide
CID 119528234
2-amino-3-[[(1R)-1-pyridin-3-ylethyl]amino]propanoic acid
CID 103258248
N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-2-pyridin-3-ylpropanamide
CID 129002179
N-[3-(aminomethyl)pentan-3-yl]-2-pyridin-3-ylpropanamide;dihydrochloride
CID 119569353
N-(2-amino-2-phenylethyl)-3-methylpyridine-2-carboxamide
CID 55176966
N-[(2S)-2-amino-2-phenylethyl]propanamide
CID 95015221

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-2-pyridin-3-ylpropanamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-2-pyridin-3-ylpropanamide (CID 119527846) is N-(2-amino-2-phenylethyl)-2-pyridin-3-ylpropanamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-2-pyridin-3-ylpropanamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-2-pyridin-3-ylpropanamide is CC(C(=O)NCC(N)c1ccccc1)c1cccnc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-2-pyridin-3-ylpropanamide?
The InChIKey is LIEXGYSRMJRKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12(14-8-5-9-18-10-14)16(20)19-11-15(17)13-6-3-2-4-7-13/h2-10,12,15H,11,17H2,1H3,(H,19,20).
What are the key properties of N-(2-amino-2-phenylethyl)-2-pyridin-3-ylpropanamide?
N-(2-amino-2-phenylethyl)-2-pyridin-3-ylpropanamide has a molecular weight of 269.35 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-2-pyridin-3-ylpropanamide is sourced from PubChem (CID 119527846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).