7-[(5-ethyl-2-pyridinyl)methyl]-4a-hydroxy-N,N-dimethyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridine-2-sulfonamide

C18H30N4O3S — CID 156603615

IUPAC7-[(5-ethyl-2-pyridinyl)methyl]-4a-hydroxy-N,N-dimethyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridine-2-sulfonamide
SMILESCCc1ccc(CN2CCC3(O)CCN(S(=O)(=O)N(C)C)CC3C2)nc1
InChIInChI=1S/C18H30N4O3S/c1-4-15-5-6-17(19-11-15)14-21-9-7-18(23)8-10-22(13-16(18)12-21)26(24,25)20(2)3/h5-6,11,16,23H,4,7-10,12-14H2,1-3H3
InChIKeyWZFBLHAFALOLSL-UHFFFAOYSA-N
MW382.53 g/mol
LogP0.71
Rot. Bonds5

About 7-[(5-ethyl-2-pyridinyl)methyl]-4a-hydroxy-N,N-dimethyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridine-2-sulfonamide

7-[(5-ethyl-2-pyridinyl)methyl]-4a-hydroxy-N,N-dimethyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridine-2-sulfonamide (PubChem CID 156603615) has the molecular formula C18H30N4O3S and a molecular weight of 382.53 g/mol. Its IUPAC name is 7-[(5-ethyl-2-pyridinyl)methyl]-4a-hydroxy-N,N-dimethyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridine-2-sulfonamide.

Molecular Properties

Compound Name7-[(5-ethyl-2-pyridinyl)methyl]-4a-hydroxy-N,N-dimethyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridine-2-sulfonamide
PubChem CID156603615
Molecular FormulaC18H30N4O3S
Molecular Weight382.53 g/mol
Exact Mass382.20
IUPAC Name7-[(5-ethyl-2-pyridinyl)methyl]-4a-hydroxy-N,N-dimethyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridine-2-sulfonamide
SMILESCCc1ccc(CN2CCC3(O)CCN(S(=O)(=O)N(C)C)CC3C2)nc1
InChIInChI=1S/C18H30N4O3S/c1-4-15-5-6-17(19-11-15)14-21-9-7-18(23)8-10-22(13-16(18)12-21)26(24,25)20(2)3/h5-6,11,16,23H,4,7-10,12-14H2,1-3H3
InChIKeyWZFBLHAFALOLSL-UHFFFAOYSA-N
XLogP0.71
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(5-ethyl-2-pyridinyl)methyl]-4a-hydroxy-N,N-dimethyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridine-2-sulfonamide?
The IUPAC name of 7-[(5-ethyl-2-pyridinyl)methyl]-4a-hydroxy-N,N-dimethyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridine-2-sulfonamide (CID 156603615) is 7-[(5-ethyl-2-pyridinyl)methyl]-4a-hydroxy-N,N-dimethyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridine-2-sulfonamide.
What is the SMILES notation for 7-[(5-ethyl-2-pyridinyl)methyl]-4a-hydroxy-N,N-dimethyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridine-2-sulfonamide?
The canonical SMILES for 7-[(5-ethyl-2-pyridinyl)methyl]-4a-hydroxy-N,N-dimethyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridine-2-sulfonamide is CCc1ccc(CN2CCC3(O)CCN(S(=O)(=O)N(C)C)CC3C2)nc1.
What is the InChIKey of 7-[(5-ethyl-2-pyridinyl)methyl]-4a-hydroxy-N,N-dimethyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridine-2-sulfonamide?
The InChIKey is WZFBLHAFALOLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3S/c1-4-15-5-6-17(19-11-15)14-21-9-7-18(23)8-10-22(13-16(18)12-21)26(24,25)20(2)3/h5-6,11,16,23H,4,7-10,12-14H2,1-3H3.
What are the key properties of 7-[(5-ethyl-2-pyridinyl)methyl]-4a-hydroxy-N,N-dimethyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridine-2-sulfonamide?
7-[(5-ethyl-2-pyridinyl)methyl]-4a-hydroxy-N,N-dimethyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridine-2-sulfonamide has a molecular weight of 382.53 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-ethyl-2-pyridinyl)methyl]-4a-hydroxy-N,N-dimethyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridine-2-sulfonamide is sourced from PubChem (CID 156603615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).