trans-(1S,2S)-2-(2-acetamidoethyl)-N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-2-(2-acetamidoethyl)-N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide

C48H54N14O6 — CID 158710184

IUPACtrans-(1S,2S)-2-(2-acetamidoethyl)-N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-2-(2-acetamidoethyl)-N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide
SMILESCC(=O)NCC[C@@H]1C[C@@H]1C(=O)Nc1cc2cc(-c3cnc4c(c3C)NCCO4)nc(N)c2cn1.CC(=O)NCC[C@H]1C[C@H]1C(=O)Nc1cc2cc(-c3cnc4c(c3C)NCCO4)nc(N)c2cn1
InChIInChI=1S/2C24H27N7O3/c2*1-12-17(10-29-24-21(12)27-5-6-34-24)19-8-15-9-20(28-11-18(15)22(25)30-19)31-23(33)16-7-14(16)3-4-26-13(2)32/h2*8-11,14,16,27H,3-7H2,1-2H3,(H2,25,30)(H,26,32)(H,28,31,33)/t2*14-,16+/m10/s1
InChIKeyIIPRMFLMFQWZMV-PTMVTKKISA-N
MW923.05 g/mol
LogP4.98
Rot. Bonds12

About trans-(1S,2S)-2-(2-acetamidoethyl)-N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-2-(2-acetamidoethyl)-N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide

trans-(1S,2S)-2-(2-acetamidoethyl)-N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-2-(2-acetamidoethyl)-N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide (PubChem CID 158710184) has the molecular formula C48H54N14O6 and a molecular weight of 923.05 g/mol. Its IUPAC name is trans-(1S,2S)-2-(2-acetamidoethyl)-N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-2-(2-acetamidoethyl)-N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(2-acetamidoethyl)-N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-2-(2-acetamidoethyl)-N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide
PubChem CID158710184
Molecular FormulaC48H54N14O6
Molecular Weight923.05 g/mol
Exact Mass922.44
IUPAC Nametrans-(1S,2S)-2-(2-acetamidoethyl)-N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-2-(2-acetamidoethyl)-N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide
SMILESCC(=O)NCC[C@@H]1C[C@@H]1C(=O)Nc1cc2cc(-c3cnc4c(c3C)NCCO4)nc(N)c2cn1.CC(=O)NCC[C@H]1C[C@H]1C(=O)Nc1cc2cc(-c3cnc4c(c3C)NCCO4)nc(N)c2cn1
InChIInChI=1S/2C24H27N7O3/c2*1-12-17(10-29-24-21(12)27-5-6-34-24)19-8-15-9-20(28-11-18(15)22(25)30-19)31-23(33)16-7-14(16)3-4-26-13(2)32/h2*8-11,14,16,27H,3-7H2,1-2H3,(H2,25,30)(H,26,32)(H,28,31,33)/t2*14-,16+/m10/s1
InChIKeyIIPRMFLMFQWZMV-PTMVTKKISA-N
XLogP4.98
TPSA288.30 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500923.05
LogP ≤ 54.98
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

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

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Related Compounds

6-[[[(3R,6S)-6-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 25134040
6-[[[(3R,6S)-6-[1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 67365574
(4R)-4-[(1R)-1-[[7-(6-morpholin-4-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
CID 53308738
cis-N-(8-amino-6-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-8-yl)-2,7-naphthyridin-3-yl)-2-fluorocyclopropanecarboxamide
CID 135345253
6-[[2-[1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
CID 44536955
6-[[[(3R,6S)-6-[2-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 137645253
4-[[7-(4-Methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
CID 58071934
cis-N-(8-amino-6-(4-ethyl-6-methoxypyridin-3-yl)-2,7-naphthyridin-3-yl)-2-fluorocyclopropanecarboxamide
CID 135344442
cis-N-(8-amino-6-(3-oxo-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-8-yl)-2,7-naphthyridin-3-yl)-2-fluorocyclopropanecarboxamide
CID 135344895
2-cyclopropyl-N-[5-(2-ethoxy-6-morpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide
CID 117610041
2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,8-dihydro-6H-1,6-naphthyridin-5-one
CID 165381133
US20240025922, Example 73
CID 170324324

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(2-acetamidoethyl)-N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-2-(2-acetamidoethyl)-N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-(2-acetamidoethyl)-N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-2-(2-acetamidoethyl)-N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide (CID 158710184) is trans-(1S,2S)-2-(2-acetamidoethyl)-N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-2-(2-acetamidoethyl)-N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-(2-acetamidoethyl)-N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-2-(2-acetamidoethyl)-N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-(2-acetamidoethyl)-N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-2-(2-acetamidoethyl)-N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide is CC(=O)NCC[C@@H]1C[C@@H]1C(=O)Nc1cc2cc(-c3cnc4c(c3C)NCCO4)nc(N)c2cn1.CC(=O)NCC[C@H]1C[C@H]1C(=O)Nc1cc2cc(-c3cnc4c(c3C)NCCO4)nc(N)c2cn1.
What is the InChIKey of trans-(1S,2S)-2-(2-acetamidoethyl)-N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-2-(2-acetamidoethyl)-N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide?
The InChIKey is IIPRMFLMFQWZMV-PTMVTKKISA-N. The full InChI is InChI=1S/2C24H27N7O3/c2*1-12-17(10-29-24-21(12)27-5-6-34-24)19-8-15-9-20(28-11-18(15)22(25)30-19)31-23(33)16-7-14(16)3-4-26-13(2)32/h2*8-11,14,16,27H,3-7H2,1-2H3,(H2,25,30)(H,26,32)(H,28,31,33)/t2*14-,16+/m10/s1.
What are the key properties of trans-(1S,2S)-2-(2-acetamidoethyl)-N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-2-(2-acetamidoethyl)-N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide?
trans-(1S,2S)-2-(2-acetamidoethyl)-N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-2-(2-acetamidoethyl)-N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide has a molecular weight of 923.05 g/mol, XLogP of 4.98, 12 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(2-acetamidoethyl)-N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-2-(2-acetamidoethyl)-N-[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 158710184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).