N-[2-methyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propyl]pyridine-2-carboxamide;hydrochloride

C17H25ClN6O2 — CID 120956291

IUPACN-[2-methyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propyl]pyridine-2-carboxamide;hydrochloride
SMILESCC(C)C(NC(=O)c1ccccn1)c1nc(C2CNCCN2C)no1.Cl
InChIInChI=1S/C17H24N6O2.ClH/c1-11(2)14(20-16(24)12-6-4-5-7-19-12)17-21-15(22-25-17)13-10-18-8-9-23(13)3;/h4-7,11,13-14,18H,8-10H2,1-3H3,(H,20,24);1H
InChIKeyCBTXTTPEOOZSOF-UHFFFAOYSA-N
MW380.88 g/mol
LogP1.59
Rot. Bonds5

About N-[2-methyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propyl]pyridine-2-carboxamide;hydrochloride

N-[2-methyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propyl]pyridine-2-carboxamide;hydrochloride (PubChem CID 120956291) has the molecular formula C17H25ClN6O2 and a molecular weight of 380.88 g/mol. Its IUPAC name is N-[2-methyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propyl]pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-methyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propyl]pyridine-2-carboxamide;hydrochloride
PubChem CID120956291
Molecular FormulaC17H25ClN6O2
Molecular Weight380.88 g/mol
Exact Mass380.17
IUPAC NameN-[2-methyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propyl]pyridine-2-carboxamide;hydrochloride
SMILESCC(C)C(NC(=O)c1ccccn1)c1nc(C2CNCCN2C)no1.Cl
InChIInChI=1S/C17H24N6O2.ClH/c1-11(2)14(20-16(24)12-6-4-5-7-19-12)17-21-15(22-25-17)13-10-18-8-9-23(13)3;/h4-7,11,13-14,18H,8-10H2,1-3H3,(H,20,24);1H
InChIKeyCBTXTTPEOOZSOF-UHFFFAOYSA-N
XLogP1.59
TPSA96.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-methyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propyl]pyridine-2-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-[2-methyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propyl]benzamide;hydrochloride
CID 120959638
3-methyl-N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethyl]butanamide;hydrochloride
CID 120956333
N-[1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-nitrobenzamide;hydrochloride
CID 120959628
5-[1-(3-methylphenyl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120958508
3-(1-methylpiperazin-2-yl)-5-(1-pyridin-3-ylethyl)-1,2,4-oxadiazole;hydrochloride
CID 120957055
1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-3-propan-2-ylurea;hydrochloride
CID 120957367
N-[cyclopentyl-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 120956540
5-[1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956253
1,3-dimethyl-N-[1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 120957719
1-[3-[1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethoxy]phenyl]ethanone
CID 120957096
3-(1-methylpiperazin-2-yl)-5-(1-methylsulfanylethyl)-1,2,4-oxadiazole
CID 120957974
N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide;hydrochloride
CID 120956861

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propyl]pyridine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-methyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propyl]pyridine-2-carboxamide;hydrochloride (CID 120956291) is N-[2-methyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propyl]pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-methyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propyl]pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-methyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propyl]pyridine-2-carboxamide;hydrochloride is CC(C)C(NC(=O)c1ccccn1)c1nc(C2CNCCN2C)no1.Cl.
What is the InChIKey of N-[2-methyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propyl]pyridine-2-carboxamide;hydrochloride?
The InChIKey is CBTXTTPEOOZSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2.ClH/c1-11(2)14(20-16(24)12-6-4-5-7-19-12)17-21-15(22-25-17)13-10-18-8-9-23(13)3;/h4-7,11,13-14,18H,8-10H2,1-3H3,(H,20,24);1H.
What are the key properties of N-[2-methyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propyl]pyridine-2-carboxamide;hydrochloride?
N-[2-methyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propyl]pyridine-2-carboxamide;hydrochloride has a molecular weight of 380.88 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propyl]pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 120956291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).