N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide

C20H17ClN6O2 — CID 134178763

IUPACN-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCc1nc(N)ccc1CNC(=O)c1nnc(Cc2ccc3ncc(Cl)cc3c2)o1
InChIInChI=1S/C20H17ClN6O2/c1-11-13(3-5-17(22)25-11)9-24-19(28)20-27-26-18(29-20)7-12-2-4-16-14(6-12)8-15(21)10-23-16/h2-6,8,10H,7,9H2,1H3,(H2,22,25)(H,24,28)
InChIKeyAQHZJJWUYYGRQM-UHFFFAOYSA-N
MW408.85 g/mol
LogP3.08
Rot. Bonds5

About N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide

N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 134178763) has the molecular formula C20H17ClN6O2 and a molecular weight of 408.85 g/mol. Its IUPAC name is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID134178763
Molecular FormulaC20H17ClN6O2
Molecular Weight408.85 g/mol
Exact Mass408.11
IUPAC NameN-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCc1nc(N)ccc1CNC(=O)c1nnc(Cc2ccc3ncc(Cl)cc3c2)o1
InChIInChI=1S/C20H17ClN6O2/c1-11-13(3-5-17(22)25-11)9-24-19(28)20-27-26-18(29-20)7-12-2-4-16-14(6-12)8-15(21)10-23-16/h2-6,8,10H,7,9H2,1H3,(H2,22,25)(H,24,28)
InChIKeyAQHZJJWUYYGRQM-UHFFFAOYSA-N
XLogP3.08
TPSA119.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.85
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide (CID 134178763) is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide is Cc1nc(N)ccc1CNC(=O)c1nnc(Cc2ccc3ncc(Cl)cc3c2)o1.
What is the InChIKey of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is AQHZJJWUYYGRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6O2/c1-11-13(3-5-17(22)25-11)9-24-19(28)20-27-26-18(29-20)7-12-2-4-16-14(6-12)8-15(21)10-23-16/h2-6,8,10H,7,9H2,1H3,(H2,22,25)(H,24,28).
What are the key properties of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide?
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 408.85 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 134178763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).