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

C11H17N3O — CID 81405917

IUPACN,N-dimethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
SMILESC[C@H](NCC(=O)N(C)C)c1ccncc1
InChIInChI=1S/C11H17N3O/c1-9(10-4-6-12-7-5-10)13-8-11(15)14(2)3/h4-7,9,13H,8H2,1-3H3/t9-/m0/s1
InChIKeyCABGSKBCDCDOMS-VIFPVBQESA-N
MW207.28 g/mol
LogP0.82
Rot. Bonds4

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

N,N-dimethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide (PubChem CID 81405917) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
PubChem CID81405917
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN,N-dimethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
SMILESC[C@H](NCC(=O)N(C)C)c1ccncc1
InChIInChI=1S/C11H17N3O/c1-9(10-4-6-12-7-5-10)13-8-11(15)14(2)3/h4-7,9,13H,8H2,1-3H3/t9-/m0/s1
InChIKeyCABGSKBCDCDOMS-VIFPVBQESA-N
XLogP0.82
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 28564746
N,N-dimethyl-4-[[(1S)-1-pyridin-4-ylethyl]amino]butanamide
CID 81410553
N,N-dimethyl-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]acetamide
CID 81355442
2-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylacetamide
CID 43214641
2-(1-pyridin-4-ylethylamino)acetamide
CID 16775752
2-[1-(3,4-dichlorophenyl)ethylamino]-N,N-dimethylacetamide
CID 43214674
N-ethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
CID 81409863
N-carbamoyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
CID 81410117
N-methyl-2-(propan-2-ylamino)-N-(1-pyridin-4-ylethyl)acetamide
CID 54874161
N,N-dimethyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81361311
N-pentan-2-yl-2-(1-pyridin-4-ylethylamino)acetamide
CID 60693847
ethyl 2-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]prop-2-enoate
CID 103258974

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide (CID 81405917) is N,N-dimethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide is C[C@H](NCC(=O)N(C)C)c1ccncc1.
What is the InChIKey of N,N-dimethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide?
The InChIKey is CABGSKBCDCDOMS-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17N3O/c1-9(10-4-6-12-7-5-10)13-8-11(15)14(2)3/h4-7,9,13H,8H2,1-3H3/t9-/m0/s1.
What are the key properties of N,N-dimethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide?
N,N-dimethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide has a molecular weight of 207.28 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide is sourced from PubChem (CID 81405917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).