3-chloro-6-methoxy-2-N,5-N-dimethyl-2-N,5-N-bis[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2,5-diamine

C16H20ClN7O3 — CID 174995301

IUPAC3-chloro-6-methoxy-2-N,5-N-dimethyl-2-N,5-N-bis[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2,5-diamine
SMILESCOc1nc(N(C)Cc2nnc(C)o2)c(Cl)cc1N(C)Cc1nnc(C)o1
InChIInChI=1S/C16H20ClN7O3/c1-9-19-21-13(26-9)7-23(3)12-6-11(17)15(18-16(12)25-5)24(4)8-14-22-20-10(2)27-14/h6H,7-8H2,1-5H3
InChIKeyFKTHPMJTKWUUJY-UHFFFAOYSA-N
MW393.84 g/mol
LogP2.40
Rot. Bonds7

About 3-chloro-6-methoxy-2-N,5-N-dimethyl-2-N,5-N-bis[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2,5-diamine

3-chloro-6-methoxy-2-N,5-N-dimethyl-2-N,5-N-bis[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2,5-diamine (PubChem CID 174995301) has the molecular formula C16H20ClN7O3 and a molecular weight of 393.84 g/mol. Its IUPAC name is 3-chloro-6-methoxy-2-N,5-N-dimethyl-2-N,5-N-bis[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name3-chloro-6-methoxy-2-N,5-N-dimethyl-2-N,5-N-bis[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2,5-diamine
PubChem CID174995301
Molecular FormulaC16H20ClN7O3
Molecular Weight393.84 g/mol
Exact Mass393.13
IUPAC Name3-chloro-6-methoxy-2-N,5-N-dimethyl-2-N,5-N-bis[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2,5-diamine
SMILESCOc1nc(N(C)Cc2nnc(C)o2)c(Cl)cc1N(C)Cc1nnc(C)o1
InChIInChI=1S/C16H20ClN7O3/c1-9-19-21-13(26-9)7-23(3)12-6-11(17)15(18-16(12)25-5)24(4)8-14-22-20-10(2)27-14/h6H,7-8H2,1-5H3
InChIKeyFKTHPMJTKWUUJY-UHFFFAOYSA-N
XLogP2.40
TPSA106.44 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.84
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methoxy-2-N,5-N-dimethyl-2-N,5-N-bis[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2,5-diamine?
The IUPAC name of 3-chloro-6-methoxy-2-N,5-N-dimethyl-2-N,5-N-bis[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2,5-diamine (CID 174995301) is 3-chloro-6-methoxy-2-N,5-N-dimethyl-2-N,5-N-bis[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2,5-diamine.
What is the SMILES notation for 3-chloro-6-methoxy-2-N,5-N-dimethyl-2-N,5-N-bis[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2,5-diamine?
The canonical SMILES for 3-chloro-6-methoxy-2-N,5-N-dimethyl-2-N,5-N-bis[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2,5-diamine is COc1nc(N(C)Cc2nnc(C)o2)c(Cl)cc1N(C)Cc1nnc(C)o1.
What is the InChIKey of 3-chloro-6-methoxy-2-N,5-N-dimethyl-2-N,5-N-bis[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2,5-diamine?
The InChIKey is FKTHPMJTKWUUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN7O3/c1-9-19-21-13(26-9)7-23(3)12-6-11(17)15(18-16(12)25-5)24(4)8-14-22-20-10(2)27-14/h6H,7-8H2,1-5H3.
What are the key properties of 3-chloro-6-methoxy-2-N,5-N-dimethyl-2-N,5-N-bis[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2,5-diamine?
3-chloro-6-methoxy-2-N,5-N-dimethyl-2-N,5-N-bis[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2,5-diamine has a molecular weight of 393.84 g/mol, XLogP of 2.40, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methoxy-2-N,5-N-dimethyl-2-N,5-N-bis[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2,5-diamine is sourced from PubChem (CID 174995301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).