2-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide

C16H21N3OS — CID 97328796

IUPAC2-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
SMILESC[C@H](NC(=O)CN(C)[C@H](C)c1cccnc1)c1cccs1
InChIInChI=1S/C16H21N3OS/c1-12(15-7-5-9-21-15)18-16(20)11-19(3)13(2)14-6-4-8-17-10-14/h4-10,12-13H,11H2,1-3H3,(H,18,20)/t12-,13+/m0/s1
InChIKeyREFSBVXITHUNSX-QWHCGFSZSA-N
MW303.43 g/mol
LogP3.01
Rot. Bonds6

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

2-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide (PubChem CID 97328796) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
PubChem CID97328796
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
SMILESC[C@H](NC(=O)CN(C)[C@H](C)c1cccnc1)c1cccs1
InChIInChI=1S/C16H21N3OS/c1-12(15-7-5-9-21-15)18-16(20)11-19(3)13(2)14-6-4-8-17-10-14/h4-10,12-13H,11H2,1-3H3,(H,18,20)/t12-,13+/m0/s1
InChIKeyREFSBVXITHUNSX-QWHCGFSZSA-N
XLogP3.01
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[methyl-[(1R)-1-phenylethyl]amino]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 51730175
2-[methyl(1-pyridin-3-ylethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 71906399
N-methyl-2-[methyl-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]acetamide
CID 78824991
N-(5-bromo-2-pyridinyl)-2-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]acetamide
CID 95284652
4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-4-thiophen-2-ylbutanamide
CID 40953428
2-(dipropylamino)-N-(1-thiophen-2-ylethyl)acetamide
CID 78822073
N-(1-pyridin-3-ylethyl)thiophene-2-carboxamide
CID 42889829
3-(dimethylamino)-3-pyridin-3-ylpropanoic acid
CID 64526600
2-(dimethylcarbamoylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 125447432
2-[5-hydroxypentyl(methyl)amino]-N-(1-thiophen-2-ylethyl)acetamide
CID 107203732
4-[methyl-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]butanoic acid
CID 55005745
N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(1S)-1-pyridin-3-ylethyl]amino]acetamide
CID 97089206

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide (CID 97328796) is 2-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide is C[C@H](NC(=O)CN(C)[C@H](C)c1cccnc1)c1cccs1.
What is the InChIKey of 2-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
The InChIKey is REFSBVXITHUNSX-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-12(15-7-5-9-21-15)18-16(20)11-19(3)13(2)14-6-4-8-17-10-14/h4-10,12-13H,11H2,1-3H3,(H,18,20)/t12-,13+/m0/s1.
What are the key properties of 2-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
2-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide has a molecular weight of 303.43 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1R)-1-pyridin-3-ylethyl]amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 97328796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).