N-[4-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide

C19H30N6O4S — CID 59028331

IUPACN-[4-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide
SMILESCOCCN(CC1CC1C)c1cc(-c2nnc(C(C)N)o2)cc(N(C)S(C)(=O)=O)n1
InChIInChI=1S/C19H30N6O4S/c1-12-8-15(12)11-25(6-7-28-4)17-10-14(19-23-22-18(29-19)13(2)20)9-16(21-17)24(3)30(5,26)27/h9-10,12-13,15H,6-8,11,20H2,1-5H3
InChIKeyVQNXLKJYFIQBCO-UHFFFAOYSA-N
MW438.55 g/mol
LogP1.66
Rot. Bonds10

About N-[4-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide

N-[4-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide (PubChem CID 59028331) has the molecular formula C19H30N6O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[4-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide
PubChem CID59028331
Molecular FormulaC19H30N6O4S
Molecular Weight438.55 g/mol
Exact Mass438.20
IUPAC NameN-[4-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide
SMILESCOCCN(CC1CC1C)c1cc(-c2nnc(C(C)N)o2)cc(N(C)S(C)(=O)=O)n1
InChIInChI=1S/C19H30N6O4S/c1-12-8-15(12)11-25(6-7-28-4)17-10-14(19-23-22-18(29-19)13(2)20)9-16(21-17)24(3)30(5,26)27/h9-10,12-13,15H,6-8,11,20H2,1-5H3
InChIKeyVQNXLKJYFIQBCO-UHFFFAOYSA-N
XLogP1.66
TPSA127.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[4-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide (CID 59028331) is N-[4-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[4-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[4-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide is COCCN(CC1CC1C)c1cc(-c2nnc(C(C)N)o2)cc(N(C)S(C)(=O)=O)n1.
What is the InChIKey of N-[4-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide?
The InChIKey is VQNXLKJYFIQBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O4S/c1-12-8-15(12)11-25(6-7-28-4)17-10-14(19-23-22-18(29-19)13(2)20)9-16(21-17)24(3)30(5,26)27/h9-10,12-13,15H,6-8,11,20H2,1-5H3.
What are the key properties of N-[4-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide?
N-[4-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide has a molecular weight of 438.55 g/mol, XLogP of 1.66, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 59028331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).