5-[7-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-2,6-naphthyridin-3-yl]-4-methylpyridine-2-carboxylic acid

C19H15FN4O3 — CID 90072386

IUPAC5-[7-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-2,6-naphthyridin-3-yl]-4-methylpyridine-2-carboxylic acid
SMILESCc1cc(C(=O)O)ncc1-c1cc2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2cn1
InChIInChI=1S/C19H15FN4O3/c1-9-2-16(19(26)27)22-8-13(9)15-3-10-7-23-17(4-11(10)6-21-15)24-18(25)12-5-14(12)20/h2-4,6-8,12,14H,5H2,1H3,(H,26,27)(H,23,24,25)/t12-,14+/m1/s1
InChIKeyQRGXYFNXZNQCEY-OCCSQVGLSA-N
MW366.35 g/mol
LogP2.99
Rot. Bonds4

About 5-[7-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-2,6-naphthyridin-3-yl]-4-methylpyridine-2-carboxylic acid

5-[7-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-2,6-naphthyridin-3-yl]-4-methylpyridine-2-carboxylic acid (PubChem CID 90072386) has the molecular formula C19H15FN4O3 and a molecular weight of 366.35 g/mol. Its IUPAC name is 5-[7-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-2,6-naphthyridin-3-yl]-4-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[7-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-2,6-naphthyridin-3-yl]-4-methylpyridine-2-carboxylic acid
PubChem CID90072386
Molecular FormulaC19H15FN4O3
Molecular Weight366.35 g/mol
Exact Mass366.11
IUPAC Name5-[7-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-2,6-naphthyridin-3-yl]-4-methylpyridine-2-carboxylic acid
SMILESCc1cc(C(=O)O)ncc1-c1cc2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2cn1
InChIInChI=1S/C19H15FN4O3/c1-9-2-16(19(26)27)22-8-13(9)15-3-10-7-23-17(4-11(10)6-21-15)24-18(25)12-5-14(12)20/h2-4,6-8,12,14H,5H2,1H3,(H,26,27)(H,23,24,25)/t12-,14+/m1/s1
InChIKeyQRGXYFNXZNQCEY-OCCSQVGLSA-N
XLogP2.99
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 70675839
CID 70675839
CID 70982532
CID 70982532
CID 71115190
CID 71115190
CID 71115368
CID 71115368
CID 71467949
CID 71467949
CID 71469156
CID 71469156
CID 90372742
CID 90372742
CID 119098901
CID 119098901
CID 119099050
CID 119099050
CID 164629043
CID 164629043
CID 166629991
CID 166629991
CID 166635647
CID 166635647

Frequently Asked Questions

What is the IUPAC name of 5-[7-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-2,6-naphthyridin-3-yl]-4-methylpyridine-2-carboxylic acid?
The IUPAC name of 5-[7-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-2,6-naphthyridin-3-yl]-4-methylpyridine-2-carboxylic acid (CID 90072386) is 5-[7-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-2,6-naphthyridin-3-yl]-4-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 5-[7-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-2,6-naphthyridin-3-yl]-4-methylpyridine-2-carboxylic acid?
The canonical SMILES for 5-[7-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-2,6-naphthyridin-3-yl]-4-methylpyridine-2-carboxylic acid is Cc1cc(C(=O)O)ncc1-c1cc2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2cn1.
What is the InChIKey of 5-[7-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-2,6-naphthyridin-3-yl]-4-methylpyridine-2-carboxylic acid?
The InChIKey is QRGXYFNXZNQCEY-OCCSQVGLSA-N. The full InChI is InChI=1S/C19H15FN4O3/c1-9-2-16(19(26)27)22-8-13(9)15-3-10-7-23-17(4-11(10)6-21-15)24-18(25)12-5-14(12)20/h2-4,6-8,12,14H,5H2,1H3,(H,26,27)(H,23,24,25)/t12-,14+/m1/s1.
What are the key properties of 5-[7-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-2,6-naphthyridin-3-yl]-4-methylpyridine-2-carboxylic acid?
5-[7-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-2,6-naphthyridin-3-yl]-4-methylpyridine-2-carboxylic acid has a molecular weight of 366.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-2,6-naphthyridin-3-yl]-4-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 90072386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).