cis-(1R,2R)-N-[1-ethyl-3-(5-fluoro-4-methyl-3-pyridinyl)-2-hydroxy-2H-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide

C20H20F2N4O2 — CID 167189108

IUPACcis-(1R,2R)-N-[1-ethyl-3-(5-fluoro-4-methyl-3-pyridinyl)-2-hydroxy-2H-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCCN1c2cc(NC(=O)[C@H]3C[C@H]3F)ncc2C=C(c2cncc(F)c2C)C1O
InChIInChI=1S/C20H20F2N4O2/c1-3-26-17-6-18(25-19(27)13-5-15(13)21)24-7-11(17)4-12(20(26)28)14-8-23-9-16(22)10(14)2/h4,6-9,13,15,20,28H,3,5H2,1-2H3,(H,24,25,27)/t13-,15+,20?/m0/s1
InChIKeyZRVQDWRYNKSKGC-VOXKTVDUSA-N
MW386.40 g/mol
LogP2.92
Rot. Bonds4

About cis-(1R,2R)-N-[1-ethyl-3-(5-fluoro-4-methyl-3-pyridinyl)-2-hydroxy-2H-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide

cis-(1R,2R)-N-[1-ethyl-3-(5-fluoro-4-methyl-3-pyridinyl)-2-hydroxy-2H-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 167189108) has the molecular formula C20H20F2N4O2 and a molecular weight of 386.40 g/mol. Its IUPAC name is cis-(1R,2R)-N-[1-ethyl-3-(5-fluoro-4-methyl-3-pyridinyl)-2-hydroxy-2H-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2R)-N-[1-ethyl-3-(5-fluoro-4-methyl-3-pyridinyl)-2-hydroxy-2H-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID167189108
Molecular FormulaC20H20F2N4O2
Molecular Weight386.40 g/mol
Exact Mass386.16
IUPAC Namecis-(1R,2R)-N-[1-ethyl-3-(5-fluoro-4-methyl-3-pyridinyl)-2-hydroxy-2H-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCCN1c2cc(NC(=O)[C@H]3C[C@H]3F)ncc2C=C(c2cncc(F)c2C)C1O
InChIInChI=1S/C20H20F2N4O2/c1-3-26-17-6-18(25-19(27)13-5-15(13)21)24-7-11(17)4-12(20(26)28)14-8-23-9-16(22)10(14)2/h4,6-9,13,15,20,28H,3,5H2,1-2H3,(H,24,25,27)/t13-,15+,20?/m0/s1
InChIKeyZRVQDWRYNKSKGC-VOXKTVDUSA-N
XLogP2.92
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-N-[1-ethyl-3-(5-fluoro-4-methyl-3-pyridinyl)-2-hydroxy-2H-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2R)-N-[1-ethyl-3-(5-fluoro-4-methyl-3-pyridinyl)-2-hydroxy-2H-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide (CID 167189108) is cis-(1R,2R)-N-[1-ethyl-3-(5-fluoro-4-methyl-3-pyridinyl)-2-hydroxy-2H-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2R)-N-[1-ethyl-3-(5-fluoro-4-methyl-3-pyridinyl)-2-hydroxy-2H-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2R)-N-[1-ethyl-3-(5-fluoro-4-methyl-3-pyridinyl)-2-hydroxy-2H-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide is CCN1c2cc(NC(=O)[C@H]3C[C@H]3F)ncc2C=C(c2cncc(F)c2C)C1O.
What is the InChIKey of cis-(1R,2R)-N-[1-ethyl-3-(5-fluoro-4-methyl-3-pyridinyl)-2-hydroxy-2H-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is ZRVQDWRYNKSKGC-VOXKTVDUSA-N. The full InChI is InChI=1S/C20H20F2N4O2/c1-3-26-17-6-18(25-19(27)13-5-15(13)21)24-7-11(17)4-12(20(26)28)14-8-23-9-16(22)10(14)2/h4,6-9,13,15,20,28H,3,5H2,1-2H3,(H,24,25,27)/t13-,15+,20?/m0/s1.
What are the key properties of cis-(1R,2R)-N-[1-ethyl-3-(5-fluoro-4-methyl-3-pyridinyl)-2-hydroxy-2H-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1R,2R)-N-[1-ethyl-3-(5-fluoro-4-methyl-3-pyridinyl)-2-hydroxy-2H-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 386.40 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-N-[1-ethyl-3-(5-fluoro-4-methyl-3-pyridinyl)-2-hydroxy-2H-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 167189108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).