N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-6-methylphenyl]pyridine-4-carboxamide;hydrochloride

C19H20ClN5O2 — CID 120860575

IUPACN-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-6-methylphenyl]pyridine-4-carboxamide;hydrochloride
SMILESCc1cccc(-c2nc(C3(N)CCC3)no2)c1NC(=O)c1ccncc1.Cl
InChIInChI=1S/C19H19N5O2.ClH/c1-12-4-2-5-14(15(12)22-16(25)13-6-10-21-11-7-13)17-23-18(24-26-17)19(20)8-3-9-19;/h2,4-7,10-11H,3,8-9,20H2,1H3,(H,22,25);1H
InChIKeyNFGOGFHGNFPHBP-UHFFFAOYSA-N
MW385.86 g/mol
LogP3.45
Rot. Bonds4

About N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-6-methylphenyl]pyridine-4-carboxamide;hydrochloride

N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-6-methylphenyl]pyridine-4-carboxamide;hydrochloride (PubChem CID 120860575) has the molecular formula C19H20ClN5O2 and a molecular weight of 385.86 g/mol. Its IUPAC name is N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-6-methylphenyl]pyridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-6-methylphenyl]pyridine-4-carboxamide;hydrochloride
PubChem CID120860575
Molecular FormulaC19H20ClN5O2
Molecular Weight385.86 g/mol
Exact Mass385.13
IUPAC NameN-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-6-methylphenyl]pyridine-4-carboxamide;hydrochloride
SMILESCc1cccc(-c2nc(C3(N)CCC3)no2)c1NC(=O)c1ccncc1.Cl
InChIInChI=1S/C19H19N5O2.ClH/c1-12-4-2-5-14(15(12)22-16(25)13-6-10-21-11-7-13)17-23-18(24-26-17)19(20)8-3-9-19;/h2,4-7,10-11H,3,8-9,20H2,1H3,(H,22,25);1H
InChIKeyNFGOGFHGNFPHBP-UHFFFAOYSA-N
XLogP3.45
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.86
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-6-methylphenyl]pyridine-4-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[2-methyl-6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]pyridine-4-carboxamide;hydrochloride
CID 120960028
N-(2,6-dimethylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756385
N-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]benzamide;hydrochloride
CID 120863605
N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide
CID 120855325
[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylphenyl)methanone;hydrochloride
CID 120864049
1-[5-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850184
[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]-(2,5-dimethylphenyl)methanone;hydrochloride
CID 120858811
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120863837
1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine;hydrochloride
CID 120855657
1-[5-(2-methyl-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120861719
N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride
CID 120856138
4-N-tert-butyl-1-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzene-1,4-dicarboxamide
CID 56568237

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-6-methylphenyl]pyridine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-6-methylphenyl]pyridine-4-carboxamide;hydrochloride (CID 120860575) is N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-6-methylphenyl]pyridine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-6-methylphenyl]pyridine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-6-methylphenyl]pyridine-4-carboxamide;hydrochloride is Cc1cccc(-c2nc(C3(N)CCC3)no2)c1NC(=O)c1ccncc1.Cl.
What is the InChIKey of N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-6-methylphenyl]pyridine-4-carboxamide;hydrochloride?
The InChIKey is NFGOGFHGNFPHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2.ClH/c1-12-4-2-5-14(15(12)22-16(25)13-6-10-21-11-7-13)17-23-18(24-26-17)19(20)8-3-9-19;/h2,4-7,10-11H,3,8-9,20H2,1H3,(H,22,25);1H.
What are the key properties of N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-6-methylphenyl]pyridine-4-carboxamide;hydrochloride?
N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-6-methylphenyl]pyridine-4-carboxamide;hydrochloride has a molecular weight of 385.86 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-6-methylphenyl]pyridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120860575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).