N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]benzamide

C17H19N3O2 — CID 970701

IUPACN-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]benzamide
SMILESCC(C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccccn1
InChIInChI=1S/C17H19N3O2/c1-12(2)15(17(22)19-14-10-6-7-11-18-14)20-16(21)13-8-4-3-5-9-13/h3-12,15H,1-2H3,(H,20,21)(H,18,19,22)/t15-/m0/s1
InChIKeyDTEZCHOOHZEDJL-HNNXBMFYSA-N
MW297.36 g/mol
LogP2.47
Rot. Bonds5

About N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]benzamide

N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]benzamide (PubChem CID 970701) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]benzamide
PubChem CID970701
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]benzamide
SMILESCC(C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccccn1
InChIInChI=1S/C17H19N3O2/c1-12(2)15(17(22)19-14-10-6-7-11-18-14)20-16(21)13-8-4-3-5-9-13/h3-12,15H,1-2H3,(H,20,21)(H,18,19,22)/t15-/m0/s1
InChIKeyDTEZCHOOHZEDJL-HNNXBMFYSA-N
XLogP2.47
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]benzamide
CID 970702
N-[(2S,3R)-3-hydroxy-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-4-(2-phenylethynyl)benzamide
CID 59698095
4-chloro-N-[1-[(5-chloro-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 43019519
2-chloro-N-pyridin-2-ylpropanamide
CID 16789014
pyrazine;N-pyridin-2-ylbenzamide
CID 158820949
3-N-[(1S)-1-phenylethyl]-1-N-pyridin-2-ylbenzene-1,3-dicarboxamide
CID 10958899
N-[(2R)-1-(benzhydrylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 9110395
(3R)-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39348196
N-[3-oxo-1-phenyl-3-(pyridin-2-ylamino)propyl]benzamide
CID 134014968
methyl (2S)-2-[[(2R)-2-benzamido-3-methylbutanoyl]amino]-3-methylbutanoate
CID 2208900
N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]butan-2-yl]benzamide
CID 54311703
N-[(2S)-1-[(4-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl]benzamide
CID 41083862

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]benzamide?
The IUPAC name of N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]benzamide (CID 970701) is N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]benzamide?
The canonical SMILES for N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]benzamide is CC(C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccccn1.
What is the InChIKey of N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]benzamide?
The InChIKey is DTEZCHOOHZEDJL-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12(2)15(17(22)19-14-10-6-7-11-18-14)20-16(21)13-8-4-3-5-9-13/h3-12,15H,1-2H3,(H,20,21)(H,18,19,22)/t15-/m0/s1.
What are the key properties of N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]benzamide?
N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]benzamide has a molecular weight of 297.36 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]benzamide is sourced from PubChem (CID 970701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).