(3S)-1-[6-(4-methylphenyl)pyridazin-3-yl]-N-pentylpiperidine-3-carboxamide

C22H30N4O — CID 93055793

IUPAC(3S)-1-[6-(4-methylphenyl)pyridazin-3-yl]-N-pentylpiperidine-3-carboxamide
SMILESCCCCCNC(=O)[C@H]1CCCN(c2ccc(-c3ccc(C)cc3)nn2)C1
InChIInChI=1S/C22H30N4O/c1-3-4-5-14-23-22(27)19-7-6-15-26(16-19)21-13-12-20(24-25-21)18-10-8-17(2)9-11-18/h8-13,19H,3-7,14-16H2,1-2H3,(H,23,27)/t19-/m0/s1
InChIKeyAVTMSKRNCMGVBR-IBGZPJMESA-N
MW366.51 g/mol
LogP3.97
Rot. Bonds7

About (3S)-1-[6-(4-methylphenyl)pyridazin-3-yl]-N-pentylpiperidine-3-carboxamide

(3S)-1-[6-(4-methylphenyl)pyridazin-3-yl]-N-pentylpiperidine-3-carboxamide (PubChem CID 93055793) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is (3S)-1-[6-(4-methylphenyl)pyridazin-3-yl]-N-pentylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[6-(4-methylphenyl)pyridazin-3-yl]-N-pentylpiperidine-3-carboxamide
PubChem CID93055793
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name(3S)-1-[6-(4-methylphenyl)pyridazin-3-yl]-N-pentylpiperidine-3-carboxamide
SMILESCCCCCNC(=O)[C@H]1CCCN(c2ccc(-c3ccc(C)cc3)nn2)C1
InChIInChI=1S/C22H30N4O/c1-3-4-5-14-23-22(27)19-7-6-15-26(16-19)21-13-12-20(24-25-21)18-10-8-17(2)9-11-18/h8-13,19H,3-7,14-16H2,1-2H3,(H,23,27)/t19-/m0/s1
InChIKeyAVTMSKRNCMGVBR-IBGZPJMESA-N
XLogP3.97
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53056953
(3R)-N-butyl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055886
(3S)-1-[6-(4-methylphenyl)pyridazin-3-yl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 93055758
N-[3-(N-methylanilino)propyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53025081
1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxamide
CID 121071116
(3S)-N-cyclopropyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055724
(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
(3S)-N-cyclopentyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055740
N-cyclopentyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53004870
(3S)-N-butyl-N-methyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055757
1-[6-(4-methylphenyl)pyridazin-3-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 53004882

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[6-(4-methylphenyl)pyridazin-3-yl]-N-pentylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[6-(4-methylphenyl)pyridazin-3-yl]-N-pentylpiperidine-3-carboxamide (CID 93055793) is (3S)-1-[6-(4-methylphenyl)pyridazin-3-yl]-N-pentylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[6-(4-methylphenyl)pyridazin-3-yl]-N-pentylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[6-(4-methylphenyl)pyridazin-3-yl]-N-pentylpiperidine-3-carboxamide is CCCCCNC(=O)[C@H]1CCCN(c2ccc(-c3ccc(C)cc3)nn2)C1.
What is the InChIKey of (3S)-1-[6-(4-methylphenyl)pyridazin-3-yl]-N-pentylpiperidine-3-carboxamide?
The InChIKey is AVTMSKRNCMGVBR-IBGZPJMESA-N. The full InChI is InChI=1S/C22H30N4O/c1-3-4-5-14-23-22(27)19-7-6-15-26(16-19)21-13-12-20(24-25-21)18-10-8-17(2)9-11-18/h8-13,19H,3-7,14-16H2,1-2H3,(H,23,27)/t19-/m0/s1.
What are the key properties of (3S)-1-[6-(4-methylphenyl)pyridazin-3-yl]-N-pentylpiperidine-3-carboxamide?
(3S)-1-[6-(4-methylphenyl)pyridazin-3-yl]-N-pentylpiperidine-3-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[6-(4-methylphenyl)pyridazin-3-yl]-N-pentylpiperidine-3-carboxamide is sourced from PubChem (CID 93055793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).