(2S)-2-amino-N-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]hexanamide

C15H24N4O2 — CID 131857193

IUPAC(2S)-2-amino-N-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]hexanamide
SMILESCCCC[C@H](N)C(=O)NCC(=O)NCCc1ccccn1
InChIInChI=1S/C15H24N4O2/c1-2-3-7-13(16)15(21)19-11-14(20)18-10-8-12-6-4-5-9-17-12/h4-6,9,13H,2-3,7-8,10-11,16H2,1H3,(H,18,20)(H,19,21)/t13-/m0/s1
InChIKeyQCFGUUZWAKJRPP-ZDUSSCGKSA-N
MW292.38 g/mol
LogP0.37
Rot. Bonds9

About (2S)-2-amino-N-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]hexanamide

(2S)-2-amino-N-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]hexanamide (PubChem CID 131857193) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]hexanamide
PubChem CID131857193
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name(2S)-2-amino-N-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]hexanamide
SMILESCCCC[C@H](N)C(=O)NCC(=O)NCCc1ccccn1
InChIInChI=1S/C15H24N4O2/c1-2-3-7-13(16)15(21)19-11-14(20)18-10-8-12-6-4-5-9-17-12/h4-6,9,13H,2-3,7-8,10-11,16H2,1H3,(H,18,20)(H,19,21)/t13-/m0/s1
InChIKeyQCFGUUZWAKJRPP-ZDUSSCGKSA-N
XLogP0.37
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-(2-pyridin-2-ylethyl)hexanamide
CID 53493076
5-amino-N-(2-pyridin-2-ylethyl)hexanamide
CID 82848295
(2S)-2-amino-5-oxo-5-(2-pyridin-2-ylethylamino)pentanoic acid
CID 69303223
2-amino-3-methyl-N-(2-pyridin-2-ylethyl)butanamide
CID 24698631
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
2-chloro-N-(2-pyridin-2-ylethyl)propanamide
CID 24692533
ethyl 3,3-dimethyl-2-(2-pyridin-2-ylethylcarbamoyl)butanoate
CID 116537643
2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-propylacetamide
CID 111032170
[(2R)-3-[(2S)-2-amino-3-oxo-3-(2-pyridin-2-ylethylamino)propyl]sulfanyl-2-dodecanoyloxypropyl] dodecanoate
CID 171358154
3,3-dimethyl-2-oxo-N-(2-pyridin-2-ylethyl)pentanamide
CID 126840803
2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid
CID 114897299
2-amino-3-oxo-3-[[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]amino]-2-phenylpropanoic acid
CID 70137624

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]hexanamide?
The IUPAC name of (2S)-2-amino-N-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]hexanamide (CID 131857193) is (2S)-2-amino-N-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]hexanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]hexanamide?
The canonical SMILES for (2S)-2-amino-N-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]hexanamide is CCCC[C@H](N)C(=O)NCC(=O)NCCc1ccccn1.
What is the InChIKey of (2S)-2-amino-N-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]hexanamide?
The InChIKey is QCFGUUZWAKJRPP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-2-3-7-13(16)15(21)19-11-14(20)18-10-8-12-6-4-5-9-17-12/h4-6,9,13H,2-3,7-8,10-11,16H2,1H3,(H,18,20)(H,19,21)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]hexanamide?
(2S)-2-amino-N-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]hexanamide has a molecular weight of 292.38 g/mol, XLogP of 0.37, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]hexanamide is sourced from PubChem (CID 131857193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).