N-methyl-N-propan-2-yl-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide

C13H21N3O — CID 81404782

IUPACN-methyl-N-propan-2-yl-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide
SMILESCC(C)N(C)C(=O)CN[C@@H](C)c1cccnc1
InChIInChI=1S/C13H21N3O/c1-10(2)16(4)13(17)9-15-11(3)12-6-5-7-14-8-12/h5-8,10-11,15H,9H2,1-4H3/t11-/m0/s1
InChIKeyZGLDOSDTXVWCRY-NSHDSACASA-N
MW235.33 g/mol
LogP1.60
Rot. Bonds5

About N-methyl-N-propan-2-yl-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide

N-methyl-N-propan-2-yl-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide (PubChem CID 81404782) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-methyl-N-propan-2-yl-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide.

Molecular Properties

Compound NameN-methyl-N-propan-2-yl-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide
PubChem CID81404782
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-methyl-N-propan-2-yl-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide
SMILESCC(C)N(C)C(=O)CN[C@@H](C)c1cccnc1
InChIInChI=1S/C13H21N3O/c1-10(2)16(4)13(17)9-15-11(3)12-6-5-7-14-8-12/h5-8,10-11,15H,9H2,1-4H3/t11-/m0/s1
InChIKeyZGLDOSDTXVWCRY-NSHDSACASA-N
XLogP1.60
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-propan-2-yl-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[[(1S)-1-pyridin-3-ylethyl]amino]acetate
CID 81405022
N-methyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]-N-propan-2-ylacetamide
CID 81360695
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-methyl-N-propan-2-ylacetamide
CID 81372685
2-[1-(3-fluorophenyl)ethylamino]-N-methyl-N-propan-2-ylacetamide
CID 60696807
2-[[(1R)-1-pyridin-3-ylethyl]amino]-1-pyrrolidin-1-ylethanone
CID 81404885
3-[[(1S)-1-pyridin-3-ylethyl]amino]propanoic acid
CID 81404422
2-methylidene-N-(1-pyridin-3-ylethyl)butan-1-amine
CID 66047112
N-cyclopropyl-2-[[(1R)-1-pyridin-3-ylethyl]amino]acetamide
CID 81404358
(2S)-1-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 93082162
2-(dimethylcarbamoylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 125447432
4-[(1-pyridin-3-ylethylamino)methyl]benzoic acid
CID 62216414
N-(4-fluorophenyl)-2-[[(1R)-1-pyridin-3-ylethyl]amino]acetamide
CID 81404886

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propan-2-yl-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide?
The IUPAC name of N-methyl-N-propan-2-yl-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide (CID 81404782) is N-methyl-N-propan-2-yl-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide.
What is the SMILES notation for N-methyl-N-propan-2-yl-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide?
The canonical SMILES for N-methyl-N-propan-2-yl-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide is CC(C)N(C)C(=O)CN[C@@H](C)c1cccnc1.
What is the InChIKey of N-methyl-N-propan-2-yl-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide?
The InChIKey is ZGLDOSDTXVWCRY-NSHDSACASA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(2)16(4)13(17)9-15-11(3)12-6-5-7-14-8-12/h5-8,10-11,15H,9H2,1-4H3/t11-/m0/s1.
What are the key properties of N-methyl-N-propan-2-yl-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide?
N-methyl-N-propan-2-yl-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide has a molecular weight of 235.33 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propan-2-yl-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide is sourced from PubChem (CID 81404782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).