N-ethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide

C11H17N3O — CID 81409863

IUPACN-ethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
SMILESCCNC(=O)CN[C@@H](C)c1ccncc1
InChIInChI=1S/C11H17N3O/c1-3-13-11(15)8-14-9(2)10-4-6-12-7-5-10/h4-7,9,14H,3,8H2,1-2H3,(H,13,15)/t9-/m0/s1
InChIKeyWLUUUJAHTBZQAX-VIFPVBQESA-N
MW207.28 g/mol
LogP0.87
Rot. Bonds5

About N-ethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide

N-ethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide (PubChem CID 81409863) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-ethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
PubChem CID81409863
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-ethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
SMILESCCNC(=O)CN[C@@H](C)c1ccncc1
InChIInChI=1S/C11H17N3O/c1-3-13-11(15)8-14-9(2)10-4-6-12-7-5-10/h4-7,9,14H,3,8H2,1-2H3,(H,13,15)/t9-/m0/s1
InChIKeyWLUUUJAHTBZQAX-VIFPVBQESA-N
XLogP0.87
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-pentan-2-yl-2-(1-pyridin-4-ylethylamino)acetamide
CID 60693847
2-[1-(4-bromophenyl)ethylamino]-N-ethylacetamide
CID 43400964
N-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]acetamide
CID 43566828
N-carbamoyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
CID 81410117
2-(1-pyridin-4-ylethylamino)acetamide
CID 16775752
N-ethyl-2-[1-(4-propan-2-yloxyphenyl)ethylamino]acetamide
CID 43566886
2-(butan-2-ylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 81409809
N,N-dimethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
CID 81405917
N-(4-chlorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide
CID 81410060
N-cyclopentyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
CID 81409773
N-(2,6-difluorophenyl)-2-(1-pyridin-4-ylethylamino)acetamide
CID 43408879
N-(3-methylphenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide
CID 81409885

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide?
The IUPAC name of N-ethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide (CID 81409863) is N-ethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide.
What is the SMILES notation for N-ethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide?
The canonical SMILES for N-ethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide is CCNC(=O)CN[C@@H](C)c1ccncc1.
What is the InChIKey of N-ethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide?
The InChIKey is WLUUUJAHTBZQAX-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-13-11(15)8-14-9(2)10-4-6-12-7-5-10/h4-7,9,14H,3,8H2,1-2H3,(H,13,15)/t9-/m0/s1.
What are the key properties of N-ethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide?
N-ethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide has a molecular weight of 207.28 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide is sourced from PubChem (CID 81409863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).