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

C20H23FN4O2 — CID 11581490

IUPAC(3R)-3-amino-N-(1-ethyl-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl)-4-(2-fluorophenyl)butanamide
SMILESCCN1C(=O)C(NC(=O)C[C@H](N)Cc2ccccc2F)Cc2cccnc21
InChIInChI=1S/C20H23FN4O2/c1-2-25-19-14(7-5-9-23-19)11-17(20(25)27)24-18(26)12-15(22)10-13-6-3-4-8-16(13)21/h3-9,15,17H,2,10-12,22H2,1H3,(H,24,26)/t15-,17?/m1/s1
InChIKeyFFNFCVUPDYZAPP-LDCVWXEPSA-N
MW370.43 g/mol
LogP1.57
Rot. Bonds6

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

(3R)-3-amino-N-(1-ethyl-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl)-4-(2-fluorophenyl)butanamide (PubChem CID 11581490) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is (3R)-3-amino-N-(1-ethyl-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl)-4-(2-fluorophenyl)butanamide.

Molecular Properties

Compound Name(3R)-3-amino-N-(1-ethyl-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl)-4-(2-fluorophenyl)butanamide
PubChem CID11581490
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name(3R)-3-amino-N-(1-ethyl-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl)-4-(2-fluorophenyl)butanamide
SMILESCCN1C(=O)C(NC(=O)C[C@H](N)Cc2ccccc2F)Cc2cccnc21
InChIInChI=1S/C20H23FN4O2/c1-2-25-19-14(7-5-9-23-19)11-17(20(25)27)24-18(26)12-15(22)10-13-6-3-4-8-16(13)21/h3-9,15,17H,2,10-12,22H2,1H3,(H,24,26)/t15-,17?/m1/s1
InChIKeyFFNFCVUPDYZAPP-LDCVWXEPSA-N
XLogP1.57
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-N-(1-ethyl-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl)-4-(2-fluorophenyl)butanamide?
The IUPAC name of (3R)-3-amino-N-(1-ethyl-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl)-4-(2-fluorophenyl)butanamide (CID 11581490) is (3R)-3-amino-N-(1-ethyl-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-ethyl-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl)-4-(2-fluorophenyl)butanamide?
The canonical SMILES for (3R)-3-amino-N-(1-ethyl-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl)-4-(2-fluorophenyl)butanamide is CCN1C(=O)C(NC(=O)C[C@H](N)Cc2ccccc2F)Cc2cccnc21.
What is the InChIKey of (3R)-3-amino-N-(1-ethyl-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl)-4-(2-fluorophenyl)butanamide?
The InChIKey is FFNFCVUPDYZAPP-LDCVWXEPSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-2-25-19-14(7-5-9-23-19)11-17(20(25)27)24-18(26)12-15(22)10-13-6-3-4-8-16(13)21/h3-9,15,17H,2,10-12,22H2,1H3,(H,24,26)/t15-,17?/m1/s1.
What are the key properties of (3R)-3-amino-N-(1-ethyl-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl)-4-(2-fluorophenyl)butanamide?
(3R)-3-amino-N-(1-ethyl-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl)-4-(2-fluorophenyl)butanamide has a molecular weight of 370.43 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-N-(1-ethyl-2-oxo-3,4-dihydro-1,8-naphthyridin-3-yl)-4-(2-fluorophenyl)butanamide is sourced from PubChem (CID 11581490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).