(3R)-3-amino-N-[1-[(4-benzoylphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide

C32H29FN4O3 — CID 11548334

IUPAC(3R)-3-amino-N-[1-[(4-benzoylphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide
SMILESN[C@@H](CC(=O)NC1Cc2cccnc2N(Cc2ccc(C(=O)c3ccccc3)cc2)C1=O)Cc1ccccc1F
InChIInChI=1S/C32H29FN4O3/c33-27-11-5-4-9-24(27)17-26(34)19-29(38)36-28-18-25-10-6-16-35-31(25)37(32(28)40)20-21-12-14-23(15-13-21)30(39)22-7-2-1-3-8-22/h1-16,26,28H,17-20,34H2,(H,36,38)/t26-,28?/m1/s1
InChIKeyWVSOIQSRHYEMQX-HSLSYKTRSA-N
MW536.61 g/mol
LogP3.99
Rot. Bonds9

About (3R)-3-amino-N-[1-[(4-benzoylphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide

(3R)-3-amino-N-[1-[(4-benzoylphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide (PubChem CID 11548334) has the molecular formula C32H29FN4O3 and a molecular weight of 536.61 g/mol. Its IUPAC name is (3R)-3-amino-N-[1-[(4-benzoylphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide.

Molecular Properties

Compound Name(3R)-3-amino-N-[1-[(4-benzoylphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide
PubChem CID11548334
Molecular FormulaC32H29FN4O3
Molecular Weight536.61 g/mol
Exact Mass536.22
IUPAC Name(3R)-3-amino-N-[1-[(4-benzoylphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide
SMILESN[C@@H](CC(=O)NC1Cc2cccnc2N(Cc2ccc(C(=O)c3ccccc3)cc2)C1=O)Cc1ccccc1F
InChIInChI=1S/C32H29FN4O3/c33-27-11-5-4-9-24(27)17-26(34)19-29(38)36-28-18-25-10-6-16-35-31(25)37(32(28)40)20-21-12-14-23(15-13-21)30(39)22-7-2-1-3-8-22/h1-16,26,28H,17-20,34H2,(H,36,38)/t26-,28?/m1/s1
InChIKeyWVSOIQSRHYEMQX-HSLSYKTRSA-N
XLogP3.99
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.61
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-N-[1-[(4-benzoylphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide?
The IUPAC name of (3R)-3-amino-N-[1-[(4-benzoylphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide (CID 11548334) is (3R)-3-amino-N-[1-[(4-benzoylphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide.
What is the SMILES notation for (3R)-3-amino-N-[1-[(4-benzoylphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide?
The canonical SMILES for (3R)-3-amino-N-[1-[(4-benzoylphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide is N[C@@H](CC(=O)NC1Cc2cccnc2N(Cc2ccc(C(=O)c3ccccc3)cc2)C1=O)Cc1ccccc1F.
What is the InChIKey of (3R)-3-amino-N-[1-[(4-benzoylphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide?
The InChIKey is WVSOIQSRHYEMQX-HSLSYKTRSA-N. The full InChI is InChI=1S/C32H29FN4O3/c33-27-11-5-4-9-24(27)17-26(34)19-29(38)36-28-18-25-10-6-16-35-31(25)37(32(28)40)20-21-12-14-23(15-13-21)30(39)22-7-2-1-3-8-22/h1-16,26,28H,17-20,34H2,(H,36,38)/t26-,28?/m1/s1.
What are the key properties of (3R)-3-amino-N-[1-[(4-benzoylphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide?
(3R)-3-amino-N-[1-[(4-benzoylphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide has a molecular weight of 536.61 g/mol, XLogP of 3.99, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-N-[1-[(4-benzoylphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]-4-(2-fluorophenyl)butanamide is sourced from PubChem (CID 11548334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).