(2R)-3-methyl-N-(2-methyl-4-pyridinyl)-2-[(2-phenylacetyl)amino]butanamide

C19H23N3O2 — CID 96526958

IUPAC(2R)-3-methyl-N-(2-methyl-4-pyridinyl)-2-[(2-phenylacetyl)amino]butanamide
SMILESCc1cc(NC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)ccn1
InChIInChI=1S/C19H23N3O2/c1-13(2)18(19(24)21-16-9-10-20-14(3)11-16)22-17(23)12-15-7-5-4-6-8-15/h4-11,13,18H,12H2,1-3H3,(H,22,23)(H,20,21,24)/t18-/m1/s1
InChIKeyMCGSXLIBEYYTBP-GOSISDBHSA-N
MW325.41 g/mol
LogP2.71
Rot. Bonds6

About (2R)-3-methyl-N-(2-methyl-4-pyridinyl)-2-[(2-phenylacetyl)amino]butanamide

(2R)-3-methyl-N-(2-methyl-4-pyridinyl)-2-[(2-phenylacetyl)amino]butanamide (PubChem CID 96526958) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (2R)-3-methyl-N-(2-methyl-4-pyridinyl)-2-[(2-phenylacetyl)amino]butanamide.

Molecular Properties

Compound Name(2R)-3-methyl-N-(2-methyl-4-pyridinyl)-2-[(2-phenylacetyl)amino]butanamide
PubChem CID96526958
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(2R)-3-methyl-N-(2-methyl-4-pyridinyl)-2-[(2-phenylacetyl)amino]butanamide
SMILESCc1cc(NC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)ccn1
InChIInChI=1S/C19H23N3O2/c1-13(2)18(19(24)21-16-9-10-20-14(3)11-16)22-17(23)12-15-7-5-4-6-8-15/h4-11,13,18H,12H2,1-3H3,(H,22,23)(H,20,21,24)/t18-/m1/s1
InChIKeyMCGSXLIBEYYTBP-GOSISDBHSA-N
XLogP2.71
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-methyl-N-(3-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 9038834
3-methyl-N-(4-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 71534500
N-[3-[[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]phenyl]pyridine-4-carboxamide
CID 55610497
3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-pyridin-4-ylbutanamide
CID 60575847
3-methyl-2-[(2-phenylacetyl)amino]-N-(3-pyrazol-1-ylphenyl)butanamide
CID 55766078
3-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 60581087
(2S)-N-(3-cyanophenyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 8927212
3-methyl-N-(3-methylsulfonylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 55416154
3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-phenylacetyl)amino]butanamide
CID 74654559
3-methyl-2-[(2-phenoxyacetyl)amino]-N-pyridin-4-ylbutanamide
CID 51193908
(2S)-N-(4-fluoro-3-nitrophenyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 9207739
(2S)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 40942018

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-N-(2-methyl-4-pyridinyl)-2-[(2-phenylacetyl)amino]butanamide?
The IUPAC name of (2R)-3-methyl-N-(2-methyl-4-pyridinyl)-2-[(2-phenylacetyl)amino]butanamide (CID 96526958) is (2R)-3-methyl-N-(2-methyl-4-pyridinyl)-2-[(2-phenylacetyl)amino]butanamide.
What is the SMILES notation for (2R)-3-methyl-N-(2-methyl-4-pyridinyl)-2-[(2-phenylacetyl)amino]butanamide?
The canonical SMILES for (2R)-3-methyl-N-(2-methyl-4-pyridinyl)-2-[(2-phenylacetyl)amino]butanamide is Cc1cc(NC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)ccn1.
What is the InChIKey of (2R)-3-methyl-N-(2-methyl-4-pyridinyl)-2-[(2-phenylacetyl)amino]butanamide?
The InChIKey is MCGSXLIBEYYTBP-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13(2)18(19(24)21-16-9-10-20-14(3)11-16)22-17(23)12-15-7-5-4-6-8-15/h4-11,13,18H,12H2,1-3H3,(H,22,23)(H,20,21,24)/t18-/m1/s1.
What are the key properties of (2R)-3-methyl-N-(2-methyl-4-pyridinyl)-2-[(2-phenylacetyl)amino]butanamide?
(2R)-3-methyl-N-(2-methyl-4-pyridinyl)-2-[(2-phenylacetyl)amino]butanamide has a molecular weight of 325.41 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-N-(2-methyl-4-pyridinyl)-2-[(2-phenylacetyl)amino]butanamide is sourced from PubChem (CID 96526958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).