ethane;3-[(1R)-1-(6-methyl-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl)ethyl]pyridin-2-amine

C17H23N7O — CID 178107066

IUPACethane;3-[(1R)-1-(6-methyl-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl)ethyl]pyridin-2-amine
SMILESCC.Cc1nc2c3c(n[nH]c3n1)OCCN2[C@H](C)c1cccnc1N
InChIInChI=1S/C15H17N7O.C2H6/c1-8(10-4-3-5-17-12(10)16)22-6-7-23-15-11-13(20-21-15)18-9(2)19-14(11)22;1-2/h3-5,8H,6-7H2,1-2H3,(H2,16,17)(H,18,19,20,21);1-2H3/t8-;/m1./s1
InChIKeyMWOMIDGKGWMXGE-DDWIOCJRSA-N
MW341.42 g/mol
LogP2.62
Rot. Bonds2

About ethane;3-[(1R)-1-(6-methyl-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl)ethyl]pyridin-2-amine

ethane;3-[(1R)-1-(6-methyl-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl)ethyl]pyridin-2-amine (PubChem CID 178107066) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is ethane;3-[(1R)-1-(6-methyl-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Nameethane;3-[(1R)-1-(6-methyl-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl)ethyl]pyridin-2-amine
PubChem CID178107066
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Nameethane;3-[(1R)-1-(6-methyl-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl)ethyl]pyridin-2-amine
SMILESCC.Cc1nc2c3c(n[nH]c3n1)OCCN2[C@H](C)c1cccnc1N
InChIInChI=1S/C15H17N7O.C2H6/c1-8(10-4-3-5-17-12(10)16)22-6-7-23-15-11-13(20-21-15)18-9(2)19-14(11)22;1-2/h3-5,8H,6-7H2,1-2H3,(H2,16,17)(H,18,19,20,21);1-2H3/t8-;/m1./s1
InChIKeyMWOMIDGKGWMXGE-DDWIOCJRSA-N
XLogP2.62
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethane;3-[(1R)-1-(6-methyl-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl)ethyl]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;3-[(1R)-1-(6-methyl-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl)ethyl]pyridin-2-amine?
The IUPAC name of ethane;3-[(1R)-1-(6-methyl-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl)ethyl]pyridin-2-amine (CID 178107066) is ethane;3-[(1R)-1-(6-methyl-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for ethane;3-[(1R)-1-(6-methyl-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl)ethyl]pyridin-2-amine?
The canonical SMILES for ethane;3-[(1R)-1-(6-methyl-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl)ethyl]pyridin-2-amine is CC.Cc1nc2c3c(n[nH]c3n1)OCCN2[C@H](C)c1cccnc1N.
What is the InChIKey of ethane;3-[(1R)-1-(6-methyl-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl)ethyl]pyridin-2-amine?
The InChIKey is MWOMIDGKGWMXGE-DDWIOCJRSA-N. The full InChI is InChI=1S/C15H17N7O.C2H6/c1-8(10-4-3-5-17-12(10)16)22-6-7-23-15-11-13(20-21-15)18-9(2)19-14(11)22;1-2/h3-5,8H,6-7H2,1-2H3,(H2,16,17)(H,18,19,20,21);1-2H3/t8-;/m1./s1.
What are the key properties of ethane;3-[(1R)-1-(6-methyl-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl)ethyl]pyridin-2-amine?
ethane;3-[(1R)-1-(6-methyl-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl)ethyl]pyridin-2-amine has a molecular weight of 341.42 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[(1R)-1-(6-methyl-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 178107066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).