(2R)-5-amino-2-[[2-(4-fluorophenyl)acetyl]amino]-N-(5-methyl-2-oxo-3-pyridinylidene)pentanamide

C19H21FN4O3 — CID 172643570

IUPAC(2R)-5-amino-2-[[2-(4-fluorophenyl)acetyl]amino]-N-(5-methyl-2-oxo-3-pyridinylidene)pentanamide
SMILESCC1=C/C(=N\C(=O)[C@@H](CCCN)NC(=O)Cc2ccc(F)cc2)C(=O)N=C1
InChIInChI=1S/C19H21FN4O3/c1-12-9-16(18(26)22-11-12)24-19(27)15(3-2-8-21)23-17(25)10-13-4-6-14(20)7-5-13/h4-7,9,11,15H,2-3,8,10,21H2,1H3,(H,23,25)/b24-16+/t15-/m1/s1
InChIKeyRHWRPRQFIAEAMT-DSDXLYQOSA-N
MW372.40 g/mol
LogP1.12
Rot. Bonds7

About (2R)-5-amino-2-[[2-(4-fluorophenyl)acetyl]amino]-N-(5-methyl-2-oxo-3-pyridinylidene)pentanamide

(2R)-5-amino-2-[[2-(4-fluorophenyl)acetyl]amino]-N-(5-methyl-2-oxo-3-pyridinylidene)pentanamide (PubChem CID 172643570) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is (2R)-5-amino-2-[[2-(4-fluorophenyl)acetyl]amino]-N-(5-methyl-2-oxo-3-pyridinylidene)pentanamide.

Molecular Properties

Compound Name(2R)-5-amino-2-[[2-(4-fluorophenyl)acetyl]amino]-N-(5-methyl-2-oxo-3-pyridinylidene)pentanamide
PubChem CID172643570
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC Name(2R)-5-amino-2-[[2-(4-fluorophenyl)acetyl]amino]-N-(5-methyl-2-oxo-3-pyridinylidene)pentanamide
SMILESCC1=C/C(=N\C(=O)[C@@H](CCCN)NC(=O)Cc2ccc(F)cc2)C(=O)N=C1
InChIInChI=1S/C19H21FN4O3/c1-12-9-16(18(26)22-11-12)24-19(27)15(3-2-8-21)23-17(25)10-13-4-6-14(20)7-5-13/h4-7,9,11,15H,2-3,8,10,21H2,1H3,(H,23,25)/b24-16+/t15-/m1/s1
InChIKeyRHWRPRQFIAEAMT-DSDXLYQOSA-N
XLogP1.12
TPSA113.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[[2-(4-fluorophenyl)acetyl]amino]-N-(5-methyl-2-oxo-3-pyridinylidene)pentanamide?
The IUPAC name of (2R)-5-amino-2-[[2-(4-fluorophenyl)acetyl]amino]-N-(5-methyl-2-oxo-3-pyridinylidene)pentanamide (CID 172643570) is (2R)-5-amino-2-[[2-(4-fluorophenyl)acetyl]amino]-N-(5-methyl-2-oxo-3-pyridinylidene)pentanamide.
What is the SMILES notation for (2R)-5-amino-2-[[2-(4-fluorophenyl)acetyl]amino]-N-(5-methyl-2-oxo-3-pyridinylidene)pentanamide?
The canonical SMILES for (2R)-5-amino-2-[[2-(4-fluorophenyl)acetyl]amino]-N-(5-methyl-2-oxo-3-pyridinylidene)pentanamide is CC1=C/C(=N\C(=O)[C@@H](CCCN)NC(=O)Cc2ccc(F)cc2)C(=O)N=C1.
What is the InChIKey of (2R)-5-amino-2-[[2-(4-fluorophenyl)acetyl]amino]-N-(5-methyl-2-oxo-3-pyridinylidene)pentanamide?
The InChIKey is RHWRPRQFIAEAMT-DSDXLYQOSA-N. The full InChI is InChI=1S/C19H21FN4O3/c1-12-9-16(18(26)22-11-12)24-19(27)15(3-2-8-21)23-17(25)10-13-4-6-14(20)7-5-13/h4-7,9,11,15H,2-3,8,10,21H2,1H3,(H,23,25)/b24-16+/t15-/m1/s1.
What are the key properties of (2R)-5-amino-2-[[2-(4-fluorophenyl)acetyl]amino]-N-(5-methyl-2-oxo-3-pyridinylidene)pentanamide?
(2R)-5-amino-2-[[2-(4-fluorophenyl)acetyl]amino]-N-(5-methyl-2-oxo-3-pyridinylidene)pentanamide has a molecular weight of 372.40 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[[2-(4-fluorophenyl)acetyl]amino]-N-(5-methyl-2-oxo-3-pyridinylidene)pentanamide is sourced from PubChem (CID 172643570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).