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

C25H28N6O3S — CID 170324852

IUPACN-[5-(cyclopropylsulfonylmethyl)-2-pyridinyl]-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-amine
SMILESCc1c(N2CCc3cnc(Nc4ccc(CS(=O)(=O)C5CC5)cn4)cc3C2)cnc2c1NCCO2
InChIInChI=1S/C25H28N6O3S/c1-16-21(13-29-25-24(16)26-7-9-34-25)31-8-6-18-12-28-23(10-19(18)14-31)30-22-5-2-17(11-27-22)15-35(32,33)20-3-4-20/h2,5,10-13,20,26H,3-4,6-9,14-15H2,1H3,(H,27,28,30)
InChIKeyWJUXYUQRLDDGSA-UHFFFAOYSA-N
MW492.61 g/mol
LogP3.37
Rot. Bonds6

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

N-[5-(cyclopropylsulfonylmethyl)-2-pyridinyl]-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-amine (PubChem CID 170324852) has the molecular formula C25H28N6O3S and a molecular weight of 492.61 g/mol. Its IUPAC name is N-[5-(cyclopropylsulfonylmethyl)-2-pyridinyl]-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-amine.

Molecular Properties

Compound NameN-[5-(cyclopropylsulfonylmethyl)-2-pyridinyl]-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-amine
PubChem CID170324852
Molecular FormulaC25H28N6O3S
Molecular Weight492.61 g/mol
Exact Mass492.19
IUPAC NameN-[5-(cyclopropylsulfonylmethyl)-2-pyridinyl]-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-amine
SMILESCc1c(N2CCc3cnc(Nc4ccc(CS(=O)(=O)C5CC5)cn4)cc3C2)cnc2c1NCCO2
InChIInChI=1S/C25H28N6O3S/c1-16-21(13-29-25-24(16)26-7-9-34-25)31-8-6-18-12-28-23(10-19(18)14-31)30-22-5-2-17(11-27-22)15-35(32,33)20-3-4-20/h2,5,10-13,20,26H,3-4,6-9,14-15H2,1H3,(H,27,28,30)
InChIKeyWJUXYUQRLDDGSA-UHFFFAOYSA-N
XLogP3.37
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.61
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylsulfonylmethyl)-2-pyridinyl]-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-amine?
The IUPAC name of N-[5-(cyclopropylsulfonylmethyl)-2-pyridinyl]-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-amine (CID 170324852) is N-[5-(cyclopropylsulfonylmethyl)-2-pyridinyl]-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-amine.
What is the SMILES notation for N-[5-(cyclopropylsulfonylmethyl)-2-pyridinyl]-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-amine?
The canonical SMILES for N-[5-(cyclopropylsulfonylmethyl)-2-pyridinyl]-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-amine is Cc1c(N2CCc3cnc(Nc4ccc(CS(=O)(=O)C5CC5)cn4)cc3C2)cnc2c1NCCO2.
What is the InChIKey of N-[5-(cyclopropylsulfonylmethyl)-2-pyridinyl]-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-amine?
The InChIKey is WJUXYUQRLDDGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O3S/c1-16-21(13-29-25-24(16)26-7-9-34-25)31-8-6-18-12-28-23(10-19(18)14-31)30-22-5-2-17(11-27-22)15-35(32,33)20-3-4-20/h2,5,10-13,20,26H,3-4,6-9,14-15H2,1H3,(H,27,28,30).
What are the key properties of N-[5-(cyclopropylsulfonylmethyl)-2-pyridinyl]-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-amine?
N-[5-(cyclopropylsulfonylmethyl)-2-pyridinyl]-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-amine has a molecular weight of 492.61 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropylsulfonylmethyl)-2-pyridinyl]-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-amine is sourced from PubChem (CID 170324852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).