(3S)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide

C24H33N5O — CID 98746052

IUPAC(3S)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
SMILESC[C@H]1CCCCN1CCNC(=O)[C@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1
InChIInChI=1S/C24H33N5O/c1-19-8-5-6-15-28(19)17-14-25-24(30)21-11-7-16-29(18-21)23-13-12-22(26-27-23)20-9-3-2-4-10-20/h2-4,9-10,12-13,19,21H,5-8,11,14-18H2,1H3,(H,25,30)/t19-,21-/m0/s1
InChIKeyRVSLLEQIYSTXSK-FPOVZHCZSA-N
MW407.56 g/mol
LogP3.35
Rot. Bonds6

About (3S)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide

(3S)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 98746052) has the molecular formula C24H33N5O and a molecular weight of 407.56 g/mol. Its IUPAC name is (3S)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
PubChem CID98746052
Molecular FormulaC24H33N5O
Molecular Weight407.56 g/mol
Exact Mass407.27
IUPAC Name(3S)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
SMILESC[C@H]1CCCCN1CCNC(=O)[C@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1
InChIInChI=1S/C24H33N5O/c1-19-8-5-6-15-28(19)17-14-25-24(30)21-11-7-16-29(18-21)23-13-12-22(26-27-23)20-9-3-2-4-10-20/h2-4,9-10,12-13,19,21H,5-8,11,14-18H2,1H3,(H,25,30)/t19-,21-/m0/s1
InChIKeyRVSLLEQIYSTXSK-FPOVZHCZSA-N
XLogP3.35
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(6-phenylpyridazin-3-yl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 95065158
(3R)-N-[(2-chlorophenyl)methyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30351172
1-[6-(3-methylphenyl)pyridazin-3-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide
CID 53025138
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 121071544
(4-methylpiperidin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-3-yl]methanone
CID 53025387
1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 53004866
(3S)-1-[6-(4-methylphenyl)pyridazin-3-yl]-N-pentylpiperidine-3-carboxamide
CID 93055793
N-[3-(N-methylanilino)propyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53025081
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071245
(3R)-N-butyl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055886
(3S)-N-[(2-methylphenyl)methyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055860
N-[(2-methylphenyl)methyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53025098

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide (CID 98746052) is (3S)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide is C[C@H]1CCCCN1CCNC(=O)[C@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1.
What is the InChIKey of (3S)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is RVSLLEQIYSTXSK-FPOVZHCZSA-N. The full InChI is InChI=1S/C24H33N5O/c1-19-8-5-6-15-28(19)17-14-25-24(30)21-11-7-16-29(18-21)23-13-12-22(26-27-23)20-9-3-2-4-10-20/h2-4,9-10,12-13,19,21H,5-8,11,14-18H2,1H3,(H,25,30)/t19-,21-/m0/s1.
What are the key properties of (3S)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide?
(3S)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 407.56 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 98746052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).