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

C20H17FN4O3 — CID 71115323

IUPACmethyl 5-[7-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-2,6-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(C)c(-c2cc3cnc(NC(=O)[C@@H]4C[C@@H]4F)cc3cn2)cn1
InChIInChI=1S/C20H17FN4O3/c1-10-3-17(20(27)28-2)23-9-14(10)16-4-11-8-24-18(5-12(11)7-22-16)25-19(26)13-6-15(13)21/h3-5,7-9,13,15H,6H2,1-2H3,(H,24,25,26)/t13-,15+/m1/s1
InChIKeyNVAOQHYEDSNZLQ-HIFRSBDPSA-N
MW380.38 g/mol
LogP3.08
Rot. Bonds4

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

methyl 5-[7-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-2,6-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate (PubChem CID 71115323) has the molecular formula C20H17FN4O3 and a molecular weight of 380.38 g/mol. Its IUPAC name is methyl 5-[7-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-2,6-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[7-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-2,6-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate
PubChem CID71115323
Molecular FormulaC20H17FN4O3
Molecular Weight380.38 g/mol
Exact Mass380.13
IUPAC Namemethyl 5-[7-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-2,6-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(C)c(-c2cc3cnc(NC(=O)[C@@H]4C[C@@H]4F)cc3cn2)cn1
InChIInChI=1S/C20H17FN4O3/c1-10-3-17(20(27)28-2)23-9-14(10)16-4-11-8-24-18(5-12(11)7-22-16)25-19(26)13-6-15(13)21/h3-5,7-9,13,15H,6H2,1-2H3,(H,24,25,26)/t13-,15+/m1/s1
InChIKeyNVAOQHYEDSNZLQ-HIFRSBDPSA-N
XLogP3.08
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[7-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-2,6-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate?
The IUPAC name of methyl 5-[7-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-2,6-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate (CID 71115323) is methyl 5-[7-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-2,6-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[7-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-2,6-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate?
The canonical SMILES for methyl 5-[7-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-2,6-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate is COC(=O)c1cc(C)c(-c2cc3cnc(NC(=O)[C@@H]4C[C@@H]4F)cc3cn2)cn1.
What is the InChIKey of methyl 5-[7-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-2,6-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate?
The InChIKey is NVAOQHYEDSNZLQ-HIFRSBDPSA-N. The full InChI is InChI=1S/C20H17FN4O3/c1-10-3-17(20(27)28-2)23-9-14(10)16-4-11-8-24-18(5-12(11)7-22-16)25-19(26)13-6-15(13)21/h3-5,7-9,13,15H,6H2,1-2H3,(H,24,25,26)/t13-,15+/m1/s1.
What are the key properties of methyl 5-[7-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-2,6-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate?
methyl 5-[7-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-2,6-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate has a molecular weight of 380.38 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[7-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-2,6-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate is sourced from PubChem (CID 71115323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).