1-ethyl-6-fluoro-4-oxo-7-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-1,8-naphthyridine-2-carboxylic acid

C19H25FN4O3 — CID 21289007

IUPAC1-ethyl-6-fluoro-4-oxo-7-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-1,8-naphthyridine-2-carboxylic acid
SMILESCCn1c(C(=O)O)cc(=O)c2cc(F)c(N3CCC(CNC(C)C)C3)nc21
InChIInChI=1S/C19H25FN4O3/c1-4-24-15(19(26)27)8-16(25)13-7-14(20)18(22-17(13)24)23-6-5-12(10-23)9-21-11(2)3/h7-8,11-12,21H,4-6,9-10H2,1-3H3,(H,26,27)
InChIKeyABYJCDQWJPXNHZ-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.08
Rot. Bonds6

About 1-ethyl-6-fluoro-4-oxo-7-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-1,8-naphthyridine-2-carboxylic acid

1-ethyl-6-fluoro-4-oxo-7-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-1,8-naphthyridine-2-carboxylic acid (PubChem CID 21289007) has the molecular formula C19H25FN4O3 and a molecular weight of 376.43 g/mol. Its IUPAC name is 1-ethyl-6-fluoro-4-oxo-7-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-1,8-naphthyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-6-fluoro-4-oxo-7-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-1,8-naphthyridine-2-carboxylic acid
PubChem CID21289007
Molecular FormulaC19H25FN4O3
Molecular Weight376.43 g/mol
Exact Mass376.19
IUPAC Name1-ethyl-6-fluoro-4-oxo-7-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-1,8-naphthyridine-2-carboxylic acid
SMILESCCn1c(C(=O)O)cc(=O)c2cc(F)c(N3CCC(CNC(C)C)C3)nc21
InChIInChI=1S/C19H25FN4O3/c1-4-24-15(19(26)27)8-16(25)13-7-14(20)18(22-17(13)24)23-6-5-12(10-23)9-21-11(2)3/h7-8,11-12,21H,4-6,9-10H2,1-3H3,(H,26,27)
InChIKeyABYJCDQWJPXNHZ-UHFFFAOYSA-N
XLogP2.08
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-fluoro-4-oxo-7-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-1,8-naphthyridine-2-carboxylic acid?
The IUPAC name of 1-ethyl-6-fluoro-4-oxo-7-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-1,8-naphthyridine-2-carboxylic acid (CID 21289007) is 1-ethyl-6-fluoro-4-oxo-7-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-1,8-naphthyridine-2-carboxylic acid.
What is the SMILES notation for 1-ethyl-6-fluoro-4-oxo-7-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-1,8-naphthyridine-2-carboxylic acid?
The canonical SMILES for 1-ethyl-6-fluoro-4-oxo-7-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-1,8-naphthyridine-2-carboxylic acid is CCn1c(C(=O)O)cc(=O)c2cc(F)c(N3CCC(CNC(C)C)C3)nc21.
What is the InChIKey of 1-ethyl-6-fluoro-4-oxo-7-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-1,8-naphthyridine-2-carboxylic acid?
The InChIKey is ABYJCDQWJPXNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O3/c1-4-24-15(19(26)27)8-16(25)13-7-14(20)18(22-17(13)24)23-6-5-12(10-23)9-21-11(2)3/h7-8,11-12,21H,4-6,9-10H2,1-3H3,(H,26,27).
What are the key properties of 1-ethyl-6-fluoro-4-oxo-7-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-1,8-naphthyridine-2-carboxylic acid?
1-ethyl-6-fluoro-4-oxo-7-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-1,8-naphthyridine-2-carboxylic acid has a molecular weight of 376.43 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-fluoro-4-oxo-7-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-1,8-naphthyridine-2-carboxylic acid is sourced from PubChem (CID 21289007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).