(2S)-2-[(2-acetamidoacetyl)amino]-N-methyl-3-pyridin-4-ylpropanamide

C13H18N4O3 — CID 178134953

IUPAC(2S)-2-[(2-acetamidoacetyl)amino]-N-methyl-3-pyridin-4-ylpropanamide
SMILESCNC(=O)[C@H](Cc1ccncc1)NC(=O)CNC(C)=O
InChIInChI=1S/C13H18N4O3/c1-9(18)16-8-12(19)17-11(13(20)14-2)7-10-3-5-15-6-4-10/h3-6,11H,7-8H2,1-2H3,(H,14,20)(H,16,18)(H,17,19)/t11-/m0/s1
InChIKeyFLTKHZFZPIXNHG-NSHDSACASA-N
MW278.31 g/mol
LogP-1.01
Rot. Bonds6

About (2S)-2-[(2-acetamidoacetyl)amino]-N-methyl-3-pyridin-4-ylpropanamide

(2S)-2-[(2-acetamidoacetyl)amino]-N-methyl-3-pyridin-4-ylpropanamide (PubChem CID 178134953) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is (2S)-2-[(2-acetamidoacetyl)amino]-N-methyl-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(2-acetamidoacetyl)amino]-N-methyl-3-pyridin-4-ylpropanamide
PubChem CID178134953
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name(2S)-2-[(2-acetamidoacetyl)amino]-N-methyl-3-pyridin-4-ylpropanamide
SMILESCNC(=O)[C@H](Cc1ccncc1)NC(=O)CNC(C)=O
InChIInChI=1S/C13H18N4O3/c1-9(18)16-8-12(19)17-11(13(20)14-2)7-10-3-5-15-6-4-10/h3-6,11H,7-8H2,1-2H3,(H,14,20)(H,16,18)(H,17,19)/t11-/m0/s1
InChIKeyFLTKHZFZPIXNHG-NSHDSACASA-N
XLogP-1.01
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(2-acetamidoacetyl)amino]-N-benzyl-3-phenylpropanamide
CID 101192058
2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 23422440
(2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]-N-methyl-3-phenylpropanamide;ethane
CID 167455115
N-[1-(hexadecylamino)-1-oxo-3-pyridin-4-ylpropan-2-yl]octadec-9-enamide
CID 67196316
(2R)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-3-phenylpropanoic acid
CID 119367206
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 100988168
(2S)-2-[(2-acetamidoacetyl)amino]-3-(4-hydroxyphenyl)propanamide
CID 172868534
(2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-phenylpropanamide
CID 11142613
2-methoxy-N-methyl-3-pyridin-4-ylpropanamide
CID 69110755
(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-N,4-dimethylpentanamide
CID 102333216
(2S)-2-amino-3-(4-chlorophenyl)-N-[(2S)-1-[2-(methylamino)ethylamino]-1-oxo-3-pyridin-4-ylpropan-2-yl]propanamide
CID 59985718
3-phenyl-2-[(2-pyridin-4-ylacetyl)amino]propanoic acid
CID 16785065

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-acetamidoacetyl)amino]-N-methyl-3-pyridin-4-ylpropanamide?
The IUPAC name of (2S)-2-[(2-acetamidoacetyl)amino]-N-methyl-3-pyridin-4-ylpropanamide (CID 178134953) is (2S)-2-[(2-acetamidoacetyl)amino]-N-methyl-3-pyridin-4-ylpropanamide.
What is the SMILES notation for (2S)-2-[(2-acetamidoacetyl)amino]-N-methyl-3-pyridin-4-ylpropanamide?
The canonical SMILES for (2S)-2-[(2-acetamidoacetyl)amino]-N-methyl-3-pyridin-4-ylpropanamide is CNC(=O)[C@H](Cc1ccncc1)NC(=O)CNC(C)=O.
What is the InChIKey of (2S)-2-[(2-acetamidoacetyl)amino]-N-methyl-3-pyridin-4-ylpropanamide?
The InChIKey is FLTKHZFZPIXNHG-NSHDSACASA-N. The full InChI is InChI=1S/C13H18N4O3/c1-9(18)16-8-12(19)17-11(13(20)14-2)7-10-3-5-15-6-4-10/h3-6,11H,7-8H2,1-2H3,(H,14,20)(H,16,18)(H,17,19)/t11-/m0/s1.
What are the key properties of (2S)-2-[(2-acetamidoacetyl)amino]-N-methyl-3-pyridin-4-ylpropanamide?
(2S)-2-[(2-acetamidoacetyl)amino]-N-methyl-3-pyridin-4-ylpropanamide has a molecular weight of 278.31 g/mol, XLogP of -1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-acetamidoacetyl)amino]-N-methyl-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 178134953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).