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

C19H22ClN7O — CID 51950205

IUPACN-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESC[C@@H](Cc1cccc(Cl)c1)NC(=O)C1CCN(c2ccc3nnnn3n2)CC1
InChIInChI=1S/C19H22ClN7O/c1-13(11-14-3-2-4-16(20)12-14)21-19(28)15-7-9-26(10-8-15)18-6-5-17-22-24-25-27(17)23-18/h2-6,12-13,15H,7-11H2,1H3,(H,21,28)/t13-/m0/s1
InChIKeyFXYJERKVDTVDNL-ZDUSSCGKSA-N
MW399.89 g/mol
LogP2.14
Rot. Bonds5

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

N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide (PubChem CID 51950205) has the molecular formula C19H22ClN7O and a molecular weight of 399.89 g/mol. Its IUPAC name is N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
PubChem CID51950205
Molecular FormulaC19H22ClN7O
Molecular Weight399.89 g/mol
Exact Mass399.16
IUPAC NameN-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESC[C@@H](Cc1cccc(Cl)c1)NC(=O)C1CCN(c2ccc3nnnn3n2)CC1
InChIInChI=1S/C19H22ClN7O/c1-13(11-14-3-2-4-16(20)12-14)21-19(28)15-7-9-26(10-8-15)18-6-5-17-22-24-25-27(17)23-18/h2-6,12-13,15H,7-11H2,1H3,(H,21,28)/t13-/m0/s1
InChIKeyFXYJERKVDTVDNL-ZDUSSCGKSA-N
XLogP2.14
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.89
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-4-methyl-2-[[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carbonyl]amino]pentanoic acid
CID 119361368
N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 91641061
4-methyl-2-[[[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carbonyl]amino]methyl]pentanoic acid
CID 119253367
N-[1-(3-chlorophenyl)propan-2-yl]pyrrolidine-3-carboxamide
CID 63006245
N-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 32842579
N-[(4-tert-butylphenyl)methyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 166198550
N-ethyl-N-naphthalen-1-yl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 78861446
(3R)-N-[(2R)-1-(3-chlorophenyl)propan-2-yl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 51950210
N-(4-phenylbutan-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 42652793
N-benzyl-N-(4-methylphenyl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 30749176
N-butan-2-yl-2-[4-(tetrazolo[1,5-b]pyridazin-6-yl)piperazin-1-yl]acetamide
CID 42949565
cis-(1S,2R)-2-[1-(3-chlorophenyl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid
CID 114091892

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide (CID 51950205) is N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide is C[C@@H](Cc1cccc(Cl)c1)NC(=O)C1CCN(c2ccc3nnnn3n2)CC1.
What is the InChIKey of N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
The InChIKey is FXYJERKVDTVDNL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22ClN7O/c1-13(11-14-3-2-4-16(20)12-14)21-19(28)15-7-9-26(10-8-15)18-6-5-17-22-24-25-27(17)23-18/h2-6,12-13,15H,7-11H2,1H3,(H,21,28)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide has a molecular weight of 399.89 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 51950205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).