(3R)-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C21H24N4O3 — CID 39348196

IUPAC(3R)-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1ccccn1
InChIInChI=1S/C21H24N4O3/c1-14(2)19(21(28)23-17-10-6-7-11-22-17)24-20(27)15-12-18(26)25(13-15)16-8-4-3-5-9-16/h3-11,14-15,19H,12-13H2,1-2H3,(H,24,27)(H,22,23,28)/t15-,19+/m1/s1
InChIKeyRFYDBCPGPKXLAW-BEFAXECRSA-N
MW380.45 g/mol
LogP2.21
Rot. Bonds6

About (3R)-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

(3R)-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 39348196) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is (3R)-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID39348196
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name(3R)-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1ccccn1
InChIInChI=1S/C21H24N4O3/c1-14(2)19(21(28)23-17-10-6-7-11-22-17)24-20(27)15-12-18(26)25(13-15)16-8-4-3-5-9-16/h3-11,14-15,19H,12-13H2,1-2H3,(H,24,27)(H,22,23,28)/t15-,19+/m1/s1
InChIKeyRFYDBCPGPKXLAW-BEFAXECRSA-N
XLogP2.21
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(2S)-1-(cyclopropylamino)-3-methyl-1-oxobutan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39312213
(2R)-2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propanoic acid
CID 39889994
N-[1-[(1,1-dioxothiolan-3-yl)amino]-3-methyl-1-oxobutan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 56727591
(3S)-N-[(2S)-1-[[(3R)-1,1-dioxothiolan-3-yl]amino]-3-methyl-1-oxobutan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39338523
(2S)-2-[[(2S)-2-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 7631566
N-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 56727589
(3R)-5-oxo-N-pentan-3-yl-1-phenylpyrrolidine-3-carboxamide
CID 7438121
N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]benzamide
CID 970701
(3R)-5-oxo-1-[(1R)-1-phenylethyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 94480588
(3R)-N-[(2R)-2-hydroxypropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 7034624
2-[[(2S)-2-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoyl]amino]acetic acid
CID 7094115
1-(4-methylphenyl)-5-oxo-N-[phenyl(pyridin-2-yl)methyl]pyrrolidine-3-carboxamide
CID 51152076

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 39348196) is (3R)-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)Nc1ccccn1.
What is the InChIKey of (3R)-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is RFYDBCPGPKXLAW-BEFAXECRSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-14(2)19(21(28)23-17-10-6-7-11-22-17)24-20(27)15-12-18(26)25(13-15)16-8-4-3-5-9-16/h3-11,14-15,19H,12-13H2,1-2H3,(H,24,27)(H,22,23,28)/t15-,19+/m1/s1.
What are the key properties of (3R)-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
(3R)-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 39348196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).