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

C18H19FN4O2 — CID 69232656

IUPAC3-amino-4-(4-fluorophenyl)-N-[(3R)-2-oxo-3,4-dihydro-1H-1,8-naphthyridin-3-yl]butanamide
SMILESNC(CC(=O)N[C@@H]1Cc2cccnc2NC1=O)Cc1ccc(F)cc1
InChIInChI=1S/C18H19FN4O2/c19-13-5-3-11(4-6-13)8-14(20)10-16(24)22-15-9-12-2-1-7-21-17(12)23-18(15)25/h1-7,14-15H,8-10,20H2,(H,22,24)(H,21,23,25)/t14?,15-/m1/s1
InChIKeyDPOURJLBTJOBGZ-YSSOQSIOSA-N
MW342.37 g/mol
LogP1.16
Rot. Bonds5

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

3-amino-4-(4-fluorophenyl)-N-[(3R)-2-oxo-3,4-dihydro-1H-1,8-naphthyridin-3-yl]butanamide (PubChem CID 69232656) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 3-amino-4-(4-fluorophenyl)-N-[(3R)-2-oxo-3,4-dihydro-1H-1,8-naphthyridin-3-yl]butanamide.

Molecular Properties

Compound Name3-amino-4-(4-fluorophenyl)-N-[(3R)-2-oxo-3,4-dihydro-1H-1,8-naphthyridin-3-yl]butanamide
PubChem CID69232656
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name3-amino-4-(4-fluorophenyl)-N-[(3R)-2-oxo-3,4-dihydro-1H-1,8-naphthyridin-3-yl]butanamide
SMILESNC(CC(=O)N[C@@H]1Cc2cccnc2NC1=O)Cc1ccc(F)cc1
InChIInChI=1S/C18H19FN4O2/c19-13-5-3-11(4-6-13)8-14(20)10-16(24)22-15-9-12-2-1-7-21-17(12)23-18(15)25/h1-7,14-15H,8-10,20H2,(H,22,24)(H,21,23,25)/t14?,15-/m1/s1
InChIKeyDPOURJLBTJOBGZ-YSSOQSIOSA-N
XLogP1.16
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-fluorophenyl)-N-[(3R)-2-oxo-3,4-dihydro-1H-1,8-naphthyridin-3-yl]butanamide?
The IUPAC name of 3-amino-4-(4-fluorophenyl)-N-[(3R)-2-oxo-3,4-dihydro-1H-1,8-naphthyridin-3-yl]butanamide (CID 69232656) is 3-amino-4-(4-fluorophenyl)-N-[(3R)-2-oxo-3,4-dihydro-1H-1,8-naphthyridin-3-yl]butanamide.
What is the SMILES notation for 3-amino-4-(4-fluorophenyl)-N-[(3R)-2-oxo-3,4-dihydro-1H-1,8-naphthyridin-3-yl]butanamide?
The canonical SMILES for 3-amino-4-(4-fluorophenyl)-N-[(3R)-2-oxo-3,4-dihydro-1H-1,8-naphthyridin-3-yl]butanamide is NC(CC(=O)N[C@@H]1Cc2cccnc2NC1=O)Cc1ccc(F)cc1.
What is the InChIKey of 3-amino-4-(4-fluorophenyl)-N-[(3R)-2-oxo-3,4-dihydro-1H-1,8-naphthyridin-3-yl]butanamide?
The InChIKey is DPOURJLBTJOBGZ-YSSOQSIOSA-N. The full InChI is InChI=1S/C18H19FN4O2/c19-13-5-3-11(4-6-13)8-14(20)10-16(24)22-15-9-12-2-1-7-21-17(12)23-18(15)25/h1-7,14-15H,8-10,20H2,(H,22,24)(H,21,23,25)/t14?,15-/m1/s1.
What are the key properties of 3-amino-4-(4-fluorophenyl)-N-[(3R)-2-oxo-3,4-dihydro-1H-1,8-naphthyridin-3-yl]butanamide?
3-amino-4-(4-fluorophenyl)-N-[(3R)-2-oxo-3,4-dihydro-1H-1,8-naphthyridin-3-yl]butanamide has a molecular weight of 342.37 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-fluorophenyl)-N-[(3R)-2-oxo-3,4-dihydro-1H-1,8-naphthyridin-3-yl]butanamide is sourced from PubChem (CID 69232656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).