N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]benzamide

C18H21N3O2 — CID 39953572

IUPACN-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]benzamide
SMILESCC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccncc1
InChIInChI=1S/C18H21N3O2/c1-3-13(2)16(18(23)20-15-9-11-19-12-10-15)21-17(22)14-7-5-4-6-8-14/h4-13,16H,3H2,1-2H3,(H,21,22)(H,19,20,23)/t13-,16-/m0/s1
InChIKeyIECRBFOQMZQUKG-BBRMVZONSA-N
MW311.38 g/mol
LogP2.86
Rot. Bonds6

About N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]benzamide

N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]benzamide (PubChem CID 39953572) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]benzamide
PubChem CID39953572
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]benzamide
SMILESCC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccncc1
InChIInChI=1S/C18H21N3O2/c1-3-13(2)16(18(23)20-15-9-11-19-12-10-15)21-17(22)14-7-5-4-6-8-14/h4-13,16H,3H2,1-2H3,(H,21,22)(H,19,20,23)/t13-,16-/m0/s1
InChIKeyIECRBFOQMZQUKG-BBRMVZONSA-N
XLogP2.86
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S,3S)-3-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide
CID 9138580
N-[(2S,3S)-3-methyl-1-oxo-1-(4-sulfamoylanilino)pentan-2-yl]benzamide
CID 9034859
N-[3-methyl-1-oxo-1-[3-(2-pyrazol-1-ylpropanoylamino)anilino]pentan-2-yl]benzamide
CID 46468316
N-[(2R,3S)-3-methyl-1-[4-(methylsulfamoyl)anilino]-1-oxopentan-2-yl]benzamide
CID 32552268
3-[(2-benzamido-3-methylpentanoyl)amino]-N,N-diethylbenzamide
CID 24626096
N-[(2S,3S)-3-methyl-1-oxo-1-[3-(trifluoromethyl)anilino]pentan-2-yl]benzamide
CID 9138725
N-[(2R,3R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]benzamide
CID 41113076
N-[(2R,3S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]benzamide
CID 41113077
N-[1-[3-(cyclopropanecarbonylamino)anilino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 46579081
N-[1-[(2,2-dimethyl-1,3-benzodioxol-5-yl)amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55727905
N-[3-methyl-1-oxo-1-[3-(trifluoromethoxy)anilino]pentan-2-yl]benzamide
CID 55550380
N-[1-[3-(diethylaminomethyl)anilino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55602409

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]benzamide?
The IUPAC name of N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]benzamide (CID 39953572) is N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]benzamide.
What is the SMILES notation for N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]benzamide?
The canonical SMILES for N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]benzamide is CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccncc1.
What is the InChIKey of N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]benzamide?
The InChIKey is IECRBFOQMZQUKG-BBRMVZONSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-3-13(2)16(18(23)20-15-9-11-19-12-10-15)21-17(22)14-7-5-4-6-8-14/h4-13,16H,3H2,1-2H3,(H,21,22)(H,19,20,23)/t13-,16-/m0/s1.
What are the key properties of N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]benzamide?
N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]benzamide has a molecular weight of 311.38 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]benzamide is sourced from PubChem (CID 39953572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).