(3R)-1-(6-propan-2-ylsulfanylpyridazin-3-yl)-N-propylpiperidine-3-carboxamide

C16H26N4OS — CID 96538691

IUPAC(3R)-1-(6-propan-2-ylsulfanylpyridazin-3-yl)-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)[C@@H]1CCCN(c2ccc(SC(C)C)nn2)C1
InChIInChI=1S/C16H26N4OS/c1-4-9-17-16(21)13-6-5-10-20(11-13)14-7-8-15(19-18-14)22-12(2)3/h7-8,12-13H,4-6,9-11H2,1-3H3,(H,17,21)/t13-/m1/s1
InChIKeySAVDESHRWJYIPW-CYBMUJFWSA-N
MW322.48 g/mol
LogP2.72
Rot. Bonds6

About (3R)-1-(6-propan-2-ylsulfanylpyridazin-3-yl)-N-propylpiperidine-3-carboxamide

(3R)-1-(6-propan-2-ylsulfanylpyridazin-3-yl)-N-propylpiperidine-3-carboxamide (PubChem CID 96538691) has the molecular formula C16H26N4OS and a molecular weight of 322.48 g/mol. Its IUPAC name is (3R)-1-(6-propan-2-ylsulfanylpyridazin-3-yl)-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(6-propan-2-ylsulfanylpyridazin-3-yl)-N-propylpiperidine-3-carboxamide
PubChem CID96538691
Molecular FormulaC16H26N4OS
Molecular Weight322.48 g/mol
Exact Mass322.18
IUPAC Name(3R)-1-(6-propan-2-ylsulfanylpyridazin-3-yl)-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)[C@@H]1CCCN(c2ccc(SC(C)C)nn2)C1
InChIInChI=1S/C16H26N4OS/c1-4-9-17-16(21)13-6-5-10-20(11-13)14-7-8-15(19-18-14)22-12(2)3/h7-8,12-13H,4-6,9-11H2,1-3H3,(H,17,21)/t13-/m1/s1
InChIKeySAVDESHRWJYIPW-CYBMUJFWSA-N
XLogP2.72
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-6-[3-(propylcarbamoyl)piperidin-1-yl]pyridazine-3-carboxamide
CID 133343097
N-(3-methylbutyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-3-carboxamide
CID 46295707
1-[6-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]sulfanylpyridazin-3-yl]-N-propylpiperidine-3-carboxamide
CID 53136227
(3S)-1-[6-[2-(3-methylanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]-N-propylpiperidine-3-carboxamide
CID 95093090
(3S)-1-[6-[2-(4-butylanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]-N-propylpiperidine-3-carboxamide
CID 95093169
(3S)-1-[6-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]-N-propylpiperidine-3-carboxamide
CID 95093180
(3S)-1-[6-(4-methylphenyl)pyridazin-3-yl]-N-pentylpiperidine-3-carboxamide
CID 93055793
N-butyl-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53056953
(3S)-1-[6-(4-bromophenyl)sulfanylpyridazin-3-yl]-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 95065879
(3S)-N-(3-methylbutyl)-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055658
(3R)-N-butyl-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055886
1-(6-methylpyridazin-3-yl)-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide
CID 121118673

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(6-propan-2-ylsulfanylpyridazin-3-yl)-N-propylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-(6-propan-2-ylsulfanylpyridazin-3-yl)-N-propylpiperidine-3-carboxamide (CID 96538691) is (3R)-1-(6-propan-2-ylsulfanylpyridazin-3-yl)-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(6-propan-2-ylsulfanylpyridazin-3-yl)-N-propylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(6-propan-2-ylsulfanylpyridazin-3-yl)-N-propylpiperidine-3-carboxamide is CCCNC(=O)[C@@H]1CCCN(c2ccc(SC(C)C)nn2)C1.
What is the InChIKey of (3R)-1-(6-propan-2-ylsulfanylpyridazin-3-yl)-N-propylpiperidine-3-carboxamide?
The InChIKey is SAVDESHRWJYIPW-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H26N4OS/c1-4-9-17-16(21)13-6-5-10-20(11-13)14-7-8-15(19-18-14)22-12(2)3/h7-8,12-13H,4-6,9-11H2,1-3H3,(H,17,21)/t13-/m1/s1.
What are the key properties of (3R)-1-(6-propan-2-ylsulfanylpyridazin-3-yl)-N-propylpiperidine-3-carboxamide?
(3R)-1-(6-propan-2-ylsulfanylpyridazin-3-yl)-N-propylpiperidine-3-carboxamide has a molecular weight of 322.48 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(6-propan-2-ylsulfanylpyridazin-3-yl)-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 96538691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).