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

C22H22N6O2 — CID 145440992

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-methylquinolin-6-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1cnc2ccc(Cc3noc(C(=O)NCc4c(C)cc(N)nc4C)n3)cc2c1
InChIInChI=1S/C22H22N6O2/c1-12-6-16-8-15(4-5-18(16)24-10-12)9-20-27-22(30-28-20)21(29)25-11-17-13(2)7-19(23)26-14(17)3/h4-8,10H,9,11H2,1-3H3,(H2,23,26)(H,25,29)
InChIKeyCYJNJWNGTYCSGA-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.04
Rot. Bonds5

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

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-methylquinolin-6-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 145440992) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-methylquinolin-6-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-methylquinolin-6-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID145440992
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-methylquinolin-6-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1cnc2ccc(Cc3noc(C(=O)NCc4c(C)cc(N)nc4C)n3)cc2c1
InChIInChI=1S/C22H22N6O2/c1-12-6-16-8-15(4-5-18(16)24-10-12)9-20-27-22(30-28-20)21(29)25-11-17-13(2)7-19(23)26-14(17)3/h4-8,10H,9,11H2,1-3H3,(H2,23,26)(H,25,29)
InChIKeyCYJNJWNGTYCSGA-UHFFFAOYSA-N
XLogP3.04
TPSA119.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-methylquinolin-6-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-methylquinolin-6-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (CID 145440992) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-methylquinolin-6-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-methylquinolin-6-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-methylquinolin-6-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is Cc1cnc2ccc(Cc3noc(C(=O)NCc4c(C)cc(N)nc4C)n3)cc2c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-methylquinolin-6-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is CYJNJWNGTYCSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-12-6-16-8-15(4-5-18(16)24-10-12)9-20-27-22(30-28-20)21(29)25-11-17-13(2)7-19(23)26-14(17)3/h4-8,10H,9,11H2,1-3H3,(H2,23,26)(H,25,29).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-methylquinolin-6-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-methylquinolin-6-yl)methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 402.46 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-methylquinolin-6-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 145440992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).