cis-(1R,2S)-N-[8-amino-6-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-8-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide

C20H20N6O2 — CID 152996015

IUPACcis-(1R,2S)-N-[8-amino-6-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-8-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@H]1C[C@H]1C(=O)Nc1cc2cc(-c3cncc4c3OCCN4)nc(N)c2cn1
InChIInChI=1S/C20H20N6O2/c1-10-4-12(10)20(27)26-17-6-11-5-15(25-19(21)13(11)8-24-17)14-7-22-9-16-18(14)28-3-2-23-16/h5-10,12,23H,2-4H2,1H3,(H2,21,25)(H,24,26,27)/t10-,12+/m0/s1
InChIKeyUXFHWBAJSHERCF-CMPLNLGQSA-N
MW376.42 g/mol
LogP2.67
Rot. Bonds3

About cis-(1R,2S)-N-[8-amino-6-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-8-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide

cis-(1R,2S)-N-[8-amino-6-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-8-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide (PubChem CID 152996015) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is cis-(1R,2S)-N-[8-amino-6-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-8-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[8-amino-6-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-8-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide
PubChem CID152996015
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Namecis-(1R,2S)-N-[8-amino-6-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-8-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@H]1C[C@H]1C(=O)Nc1cc2cc(-c3cncc4c3OCCN4)nc(N)c2cn1
InChIInChI=1S/C20H20N6O2/c1-10-4-12(10)20(27)26-17-6-11-5-15(25-19(21)13(11)8-24-17)14-7-22-9-16-18(14)28-3-2-23-16/h5-10,12,23H,2-4H2,1H3,(H2,21,25)(H,24,26,27)/t10-,12+/m0/s1
InChIKeyUXFHWBAJSHERCF-CMPLNLGQSA-N
XLogP2.67
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze cis-(1R,2S)-N-[8-amino-6-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-8-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[8-amino-6-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-8-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[8-amino-6-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-8-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide (CID 152996015) is cis-(1R,2S)-N-[8-amino-6-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-8-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[8-amino-6-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-8-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[8-amino-6-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-8-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide is C[C@H]1C[C@H]1C(=O)Nc1cc2cc(-c3cncc4c3OCCN4)nc(N)c2cn1.
What is the InChIKey of cis-(1R,2S)-N-[8-amino-6-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-8-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is UXFHWBAJSHERCF-CMPLNLGQSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-10-4-12(10)20(27)26-17-6-11-5-15(25-19(21)13(11)8-24-17)14-7-22-9-16-18(14)28-3-2-23-16/h5-10,12,23H,2-4H2,1H3,(H2,21,25)(H,24,26,27)/t10-,12+/m0/s1.
What are the key properties of cis-(1R,2S)-N-[8-amino-6-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-8-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-[8-amino-6-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-8-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 2.67, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[8-amino-6-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-8-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 152996015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).