N-[2-[2-[4-amino-2-(2-methoxyethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]ethoxy]ethyl]-N-methylpropane-2-sulfonamide

C18H31N5O4S — CID 69413207

IUPACN-[2-[2-[4-amino-2-(2-methoxyethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]ethoxy]ethyl]-N-methylpropane-2-sulfonamide
SMILESCOCCc1nc2c(N)nc(C)cc2n1CCOCCN(C)S(=O)(=O)C(C)C
InChIInChI=1S/C18H31N5O4S/c1-13(2)28(24,25)22(4)7-10-27-11-8-23-15-12-14(3)20-18(19)17(15)21-16(23)6-9-26-5/h12-13H,6-11H2,1-5H3,(H2,19,20)
InChIKeyAFNFBBOIFZXQSK-UHFFFAOYSA-N
MW413.54 g/mol
LogP1.20
Rot. Bonds11

About N-[2-[2-[4-amino-2-(2-methoxyethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]ethoxy]ethyl]-N-methylpropane-2-sulfonamide

N-[2-[2-[4-amino-2-(2-methoxyethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]ethoxy]ethyl]-N-methylpropane-2-sulfonamide (PubChem CID 69413207) has the molecular formula C18H31N5O4S and a molecular weight of 413.54 g/mol. Its IUPAC name is N-[2-[2-[4-amino-2-(2-methoxyethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]ethoxy]ethyl]-N-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[2-[4-amino-2-(2-methoxyethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]ethoxy]ethyl]-N-methylpropane-2-sulfonamide
PubChem CID69413207
Molecular FormulaC18H31N5O4S
Molecular Weight413.54 g/mol
Exact Mass413.21
IUPAC NameN-[2-[2-[4-amino-2-(2-methoxyethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]ethoxy]ethyl]-N-methylpropane-2-sulfonamide
SMILESCOCCc1nc2c(N)nc(C)cc2n1CCOCCN(C)S(=O)(=O)C(C)C
InChIInChI=1S/C18H31N5O4S/c1-13(2)28(24,25)22(4)7-10-27-11-8-23-15-12-14(3)20-18(19)17(15)21-16(23)6-9-26-5/h12-13H,6-11H2,1-5H3,(H2,19,20)
InChIKeyAFNFBBOIFZXQSK-UHFFFAOYSA-N
XLogP1.20
TPSA112.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-amino-2-(2-methoxyethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]ethoxy]ethyl]-N-methylpropane-2-sulfonamide?
The IUPAC name of N-[2-[2-[4-amino-2-(2-methoxyethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]ethoxy]ethyl]-N-methylpropane-2-sulfonamide (CID 69413207) is N-[2-[2-[4-amino-2-(2-methoxyethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]ethoxy]ethyl]-N-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[2-[2-[4-amino-2-(2-methoxyethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]ethoxy]ethyl]-N-methylpropane-2-sulfonamide?
The canonical SMILES for N-[2-[2-[4-amino-2-(2-methoxyethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]ethoxy]ethyl]-N-methylpropane-2-sulfonamide is COCCc1nc2c(N)nc(C)cc2n1CCOCCN(C)S(=O)(=O)C(C)C.
What is the InChIKey of N-[2-[2-[4-amino-2-(2-methoxyethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]ethoxy]ethyl]-N-methylpropane-2-sulfonamide?
The InChIKey is AFNFBBOIFZXQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O4S/c1-13(2)28(24,25)22(4)7-10-27-11-8-23-15-12-14(3)20-18(19)17(15)21-16(23)6-9-26-5/h12-13H,6-11H2,1-5H3,(H2,19,20).
What are the key properties of N-[2-[2-[4-amino-2-(2-methoxyethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]ethoxy]ethyl]-N-methylpropane-2-sulfonamide?
N-[2-[2-[4-amino-2-(2-methoxyethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]ethoxy]ethyl]-N-methylpropane-2-sulfonamide has a molecular weight of 413.54 g/mol, XLogP of 1.20, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-amino-2-(2-methoxyethyl)-6-methylimidazo[4,5-c]pyridin-1-yl]ethoxy]ethyl]-N-methylpropane-2-sulfonamide is sourced from PubChem (CID 69413207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).