N-[5-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-2-pyridinyl]-2-morpholin-4-ylacetamide

C27H32N8O3 — CID 170324403

IUPACN-[5-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-2-pyridinyl]-2-morpholin-4-ylacetamide
SMILESCc1c(N2CCc3cnc(Nc4ccc(NC(=O)CN5CCOCC5)nc4)cc3C2)cnc2c1NCCO2
InChIInChI=1S/C27H32N8O3/c1-18-22(15-31-27-26(18)28-5-9-38-27)35-6-4-19-13-29-24(12-20(19)16-35)32-21-2-3-23(30-14-21)33-25(36)17-34-7-10-37-11-8-34/h2-3,12-15,28H,4-11,16-17H2,1H3,(H,29,32)(H,30,33,36)
InChIKeyYKKSXGZISWUDBG-UHFFFAOYSA-N
MW516.61 g/mol
LogP2.56
Rot. Bonds6

About N-[5-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-2-pyridinyl]-2-morpholin-4-ylacetamide

N-[5-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-2-pyridinyl]-2-morpholin-4-ylacetamide (PubChem CID 170324403) has the molecular formula C27H32N8O3 and a molecular weight of 516.61 g/mol. Its IUPAC name is N-[5-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-2-pyridinyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[5-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-2-pyridinyl]-2-morpholin-4-ylacetamide
PubChem CID170324403
Molecular FormulaC27H32N8O3
Molecular Weight516.61 g/mol
Exact Mass516.26
IUPAC NameN-[5-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-2-pyridinyl]-2-morpholin-4-ylacetamide
SMILESCc1c(N2CCc3cnc(Nc4ccc(NC(=O)CN5CCOCC5)nc4)cc3C2)cnc2c1NCCO2
InChIInChI=1S/C27H32N8O3/c1-18-22(15-31-27-26(18)28-5-9-38-27)35-6-4-19-13-29-24(12-20(19)16-35)32-21-2-3-23(30-14-21)33-25(36)17-34-7-10-37-11-8-34/h2-3,12-15,28H,4-11,16-17H2,1H3,(H,29,32)(H,30,33,36)
InChIKeyYKKSXGZISWUDBG-UHFFFAOYSA-N
XLogP2.56
TPSA116.77 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.61
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[5-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-2-pyridinyl]-2-morpholin-4-ylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-2-pyridinyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[5-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-2-pyridinyl]-2-morpholin-4-ylacetamide (CID 170324403) is N-[5-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-2-pyridinyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[5-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-2-pyridinyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[5-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-2-pyridinyl]-2-morpholin-4-ylacetamide is Cc1c(N2CCc3cnc(Nc4ccc(NC(=O)CN5CCOCC5)nc4)cc3C2)cnc2c1NCCO2.
What is the InChIKey of N-[5-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-2-pyridinyl]-2-morpholin-4-ylacetamide?
The InChIKey is YKKSXGZISWUDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N8O3/c1-18-22(15-31-27-26(18)28-5-9-38-27)35-6-4-19-13-29-24(12-20(19)16-35)32-21-2-3-23(30-14-21)33-25(36)17-34-7-10-37-11-8-34/h2-3,12-15,28H,4-11,16-17H2,1H3,(H,29,32)(H,30,33,36).
What are the key properties of N-[5-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-2-pyridinyl]-2-morpholin-4-ylacetamide?
N-[5-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-2-pyridinyl]-2-morpholin-4-ylacetamide has a molecular weight of 516.61 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-yl]amino]-2-pyridinyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 170324403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).