2-[[(S)-phenyl(pyridin-2-yl)methyl]amino]-N-propylacetamide

C17H21N3O — CID 34156353

IUPAC2-[[(S)-phenyl(pyridin-2-yl)methyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN[C@@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C17H21N3O/c1-2-11-19-16(21)13-20-17(14-8-4-3-5-9-14)15-10-6-7-12-18-15/h3-10,12,17,20H,2,11,13H2,1H3,(H,19,21)/t17-/m0/s1
InChIKeyZTWUUWXFOZWFQI-KRWDZBQOSA-N
MW283.38 g/mol
LogP2.29
Rot. Bonds7

About 2-[[(S)-phenyl(pyridin-2-yl)methyl]amino]-N-propylacetamide

2-[[(S)-phenyl(pyridin-2-yl)methyl]amino]-N-propylacetamide (PubChem CID 34156353) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[[(S)-phenyl(pyridin-2-yl)methyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[(S)-phenyl(pyridin-2-yl)methyl]amino]-N-propylacetamide
PubChem CID34156353
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-[[(S)-phenyl(pyridin-2-yl)methyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN[C@@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C17H21N3O/c1-2-11-19-16(21)13-20-17(14-8-4-3-5-9-14)15-10-6-7-12-18-15/h3-10,12,17,20H,2,11,13H2,1H3,(H,19,21)/t17-/m0/s1
InChIKeyZTWUUWXFOZWFQI-KRWDZBQOSA-N
XLogP2.29
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-phenylethyl]-2-[[(R)-phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 32725839
N-[(1R)-1-phenylethyl]-2-[[(S)-phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 32725829
N-[(2-fluorophenyl)methyl]-2-[[(R)-phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 34159063
ethyl 2-[[phenyl(pyridin-2-yl)methyl]amino]acetate
CID 60681847
N-[[2-(phenoxymethyl)phenyl]methyl]-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 78896287
2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]-N-propylacetamide
CID 8862800
1-butyl-3-[(S)-phenyl(pyridin-2-yl)methyl]urea
CID 36961565
methyl 3-phenyl-2-[[2-[[phenyl(pyridin-2-yl)methyl]amino]acetyl]amino]propanoate
CID 78825131
N-methyl-N-(1-phenylethyl)-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 55410573
2-ethylsulfonyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 103948036
N-(1-acetylpiperidin-4-yl)-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 86911597
2-[[(R)-(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-(cyanomethyl)acetamide
CID 96542751

Frequently Asked Questions

What is the IUPAC name of 2-[[(S)-phenyl(pyridin-2-yl)methyl]amino]-N-propylacetamide?
The IUPAC name of 2-[[(S)-phenyl(pyridin-2-yl)methyl]amino]-N-propylacetamide (CID 34156353) is 2-[[(S)-phenyl(pyridin-2-yl)methyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[(S)-phenyl(pyridin-2-yl)methyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[[(S)-phenyl(pyridin-2-yl)methyl]amino]-N-propylacetamide is CCCNC(=O)CN[C@@H](c1ccccc1)c1ccccn1.
What is the InChIKey of 2-[[(S)-phenyl(pyridin-2-yl)methyl]amino]-N-propylacetamide?
The InChIKey is ZTWUUWXFOZWFQI-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-11-19-16(21)13-20-17(14-8-4-3-5-9-14)15-10-6-7-12-18-15/h3-10,12,17,20H,2,11,13H2,1H3,(H,19,21)/t17-/m0/s1.
What are the key properties of 2-[[(S)-phenyl(pyridin-2-yl)methyl]amino]-N-propylacetamide?
2-[[(S)-phenyl(pyridin-2-yl)methyl]amino]-N-propylacetamide has a molecular weight of 283.38 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(S)-phenyl(pyridin-2-yl)methyl]amino]-N-propylacetamide is sourced from PubChem (CID 34156353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).