N-phenyl-N-prop-2-enyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide

C19H21N7O — CID 30822093

IUPACN-phenyl-N-prop-2-enyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESC=CCN(C(=O)C1CCN(c2ccc3nnnn3n2)CC1)c1ccccc1
InChIInChI=1S/C19H21N7O/c1-2-12-25(16-6-4-3-5-7-16)19(27)15-10-13-24(14-11-15)18-9-8-17-20-22-23-26(17)21-18/h2-9,15H,1,10-14H2
InChIKeyCDRKGKYFUAQSEC-UHFFFAOYSA-N
MW363.43 g/mol
LogP1.95
Rot. Bonds5

About N-phenyl-N-prop-2-enyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide

N-phenyl-N-prop-2-enyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide (PubChem CID 30822093) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is N-phenyl-N-prop-2-enyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-phenyl-N-prop-2-enyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
PubChem CID30822093
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC NameN-phenyl-N-prop-2-enyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESC=CCN(C(=O)C1CCN(c2ccc3nnnn3n2)CC1)c1ccccc1
InChIInChI=1S/C19H21N7O/c1-2-12-25(16-6-4-3-5-7-16)19(27)15-10-13-24(14-11-15)18-9-8-17-20-22-23-26(17)21-18/h2-9,15H,1,10-14H2
InChIKeyCDRKGKYFUAQSEC-UHFFFAOYSA-N
XLogP1.95
TPSA79.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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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-ethyl-N-naphthalen-1-yl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 78861446
N-phenyl-N-prop-2-enylcyclopropanecarboxamide
CID 78836355
N-butyl-N-ethyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 78846036
N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 86874693
N-[1-(furan-2-yl)ethyl]-N-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 78852969
6-(4-phenylazepan-1-yl)tetrazolo[1,5-b]pyridazine
CID 133286661
[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]methanone
CID 30839314
N-phenyl-1-[(E)-2-phenylethenyl]sulfonyl-N-prop-2-enylpiperidine-4-carboxamide
CID 55551266
(2S)-4-methyl-2-[[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carbonyl]amino]pentanoic acid
CID 119361368
N-[2-(difluoromethylsulfanyl)phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 30748614
6-(4-phenylpiperazin-1-yl)tetrazolo[1,5-b]pyridazine
CID 685555

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-prop-2-enyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
The IUPAC name of N-phenyl-N-prop-2-enyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide (CID 30822093) is N-phenyl-N-prop-2-enyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-phenyl-N-prop-2-enyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
The canonical SMILES for N-phenyl-N-prop-2-enyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide is C=CCN(C(=O)C1CCN(c2ccc3nnnn3n2)CC1)c1ccccc1.
What is the InChIKey of N-phenyl-N-prop-2-enyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
The InChIKey is CDRKGKYFUAQSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-2-12-25(16-6-4-3-5-7-16)19(27)15-10-13-24(14-11-15)18-9-8-17-20-22-23-26(17)21-18/h2-9,15H,1,10-14H2.
What are the key properties of N-phenyl-N-prop-2-enyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
N-phenyl-N-prop-2-enyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide has a molecular weight of 363.43 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-prop-2-enyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 30822093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).