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

C25H24FN5O4 — CID 69231088

IUPAC(3R)-3-amino-4-(2-fluorophenyl)-N-[1-[(4-nitrophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]butanamide
SMILESN[C@@H](CC(=O)NC1Cc2cccnc2N(Cc2ccc([N+](=O)[O-])cc2)C1=O)Cc1ccccc1F
InChIInChI=1S/C25H24FN5O4/c26-21-6-2-1-4-17(21)12-19(27)14-23(32)29-22-13-18-5-3-11-28-24(18)30(25(22)33)15-16-7-9-20(10-8-16)31(34)35/h1-11,19,22H,12-15,27H2,(H,29,32)/t19-,22?/m1/s1
InChIKeyLNWHCCSMKXTWDF-LCQOSCCDSA-N
MW477.50 g/mol
LogP2.66
Rot. Bonds8

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

(3R)-3-amino-4-(2-fluorophenyl)-N-[1-[(4-nitrophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]butanamide (PubChem CID 69231088) has the molecular formula C25H24FN5O4 and a molecular weight of 477.50 g/mol. Its IUPAC name is (3R)-3-amino-4-(2-fluorophenyl)-N-[1-[(4-nitrophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]butanamide.

Molecular Properties

Compound Name(3R)-3-amino-4-(2-fluorophenyl)-N-[1-[(4-nitrophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]butanamide
PubChem CID69231088
Molecular FormulaC25H24FN5O4
Molecular Weight477.50 g/mol
Exact Mass477.18
IUPAC Name(3R)-3-amino-4-(2-fluorophenyl)-N-[1-[(4-nitrophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]butanamide
SMILESN[C@@H](CC(=O)NC1Cc2cccnc2N(Cc2ccc([N+](=O)[O-])cc2)C1=O)Cc1ccccc1F
InChIInChI=1S/C25H24FN5O4/c26-21-6-2-1-4-17(21)12-19(27)14-23(32)29-22-13-18-5-3-11-28-24(18)30(25(22)33)15-16-7-9-20(10-8-16)31(34)35/h1-11,19,22H,12-15,27H2,(H,29,32)/t19-,22?/m1/s1
InChIKeyLNWHCCSMKXTWDF-LCQOSCCDSA-N
XLogP2.66
TPSA131.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.50
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-(2-fluorophenyl)-N-[1-[(4-nitrophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]butanamide?
The IUPAC name of (3R)-3-amino-4-(2-fluorophenyl)-N-[1-[(4-nitrophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]butanamide (CID 69231088) is (3R)-3-amino-4-(2-fluorophenyl)-N-[1-[(4-nitrophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]butanamide.
What is the SMILES notation for (3R)-3-amino-4-(2-fluorophenyl)-N-[1-[(4-nitrophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]butanamide?
The canonical SMILES for (3R)-3-amino-4-(2-fluorophenyl)-N-[1-[(4-nitrophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]butanamide is N[C@@H](CC(=O)NC1Cc2cccnc2N(Cc2ccc([N+](=O)[O-])cc2)C1=O)Cc1ccccc1F.
What is the InChIKey of (3R)-3-amino-4-(2-fluorophenyl)-N-[1-[(4-nitrophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]butanamide?
The InChIKey is LNWHCCSMKXTWDF-LCQOSCCDSA-N. The full InChI is InChI=1S/C25H24FN5O4/c26-21-6-2-1-4-17(21)12-19(27)14-23(32)29-22-13-18-5-3-11-28-24(18)30(25(22)33)15-16-7-9-20(10-8-16)31(34)35/h1-11,19,22H,12-15,27H2,(H,29,32)/t19-,22?/m1/s1.
What are the key properties of (3R)-3-amino-4-(2-fluorophenyl)-N-[1-[(4-nitrophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]butanamide?
(3R)-3-amino-4-(2-fluorophenyl)-N-[1-[(4-nitrophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]butanamide has a molecular weight of 477.50 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-(2-fluorophenyl)-N-[1-[(4-nitrophenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl]butanamide is sourced from PubChem (CID 69231088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).