N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide

C22H24ClN9O2 — CID 30822123

IUPACN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESCC(C)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C(=O)C1CCN(c2ccc3nnnn3n2)CC1
InChIInChI=1S/C22H24ClN9O2/c1-14(2)31(13-20-25-26-21(34-20)15-3-5-17(23)6-4-15)22(33)16-9-11-30(12-10-16)19-8-7-18-24-28-29-32(18)27-19/h3-8,14,16H,9-13H2,1-2H3
InChIKeyXIGQFLGTYJAKCG-UHFFFAOYSA-N
MW481.95 g/mol
LogP2.88
Rot. Bonds6

About N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide

N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide (PubChem CID 30822123) has the molecular formula C22H24ClN9O2 and a molecular weight of 481.95 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
PubChem CID30822123
Molecular FormulaC22H24ClN9O2
Molecular Weight481.95 g/mol
Exact Mass481.17
IUPAC NameN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESCC(C)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C(=O)C1CCN(c2ccc3nnnn3n2)CC1
InChIInChI=1S/C22H24ClN9O2/c1-14(2)31(13-20-25-26-21(34-20)15-3-5-17(23)6-4-15)22(33)16-9-11-30(12-10-16)19-8-7-18-24-28-29-32(18)27-19/h3-8,14,16H,9-13H2,1-2H3
InChIKeyXIGQFLGTYJAKCG-UHFFFAOYSA-N
XLogP2.88
TPSA118.44 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.95
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

N-benzyl-N-(4-methylphenyl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 30749176
N-[1-(furan-2-yl)ethyl]-N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 78852969
N-butyl-N-ethyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 78846036
N-ethyl-N-naphthalen-1-yl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 78861446
(2S)-4-methyl-2-[[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carbonyl]amino]pentanoic acid
CID 119361368
2,3-dichloro-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-ylbenzamide
CID 35345881
N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 51950205
4-tert-butyl-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-ylbenzamide
CID 35345713
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-ylfuran-2-carboxamide
CID 35345708
N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 86874693
N-(2-methylpropyl)-N-propan-2-yl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 55602186
4-methyl-2-[[[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carbonyl]amino]methyl]pentanoic acid
CID 119253367

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
The IUPAC name of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide (CID 30822123) is N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide is CC(C)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C(=O)C1CCN(c2ccc3nnnn3n2)CC1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
The InChIKey is XIGQFLGTYJAKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN9O2/c1-14(2)31(13-20-25-26-21(34-20)15-3-5-17(23)6-4-15)22(33)16-9-11-30(12-10-16)19-8-7-18-24-28-29-32(18)27-19/h3-8,14,16H,9-13H2,1-2H3.
What are the key properties of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide has a molecular weight of 481.95 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 30822123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).