N-[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide

C18H21N5OS — CID 133421368

IUPACN-[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide
SMILESCCCN(C(=O)c1cccs1)C1CCN(c2ccc(C#N)nn2)CC1
InChIInChI=1S/C18H21N5OS/c1-2-9-23(18(24)16-4-3-12-25-16)15-7-10-22(11-8-15)17-6-5-14(13-19)20-21-17/h3-6,12,15H,2,7-11H2,1H3
InChIKeyLOGLUWVZWRJELD-UHFFFAOYSA-N
MW355.47 g/mol
LogP2.93
Rot. Bonds5

About N-[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide

N-[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide (PubChem CID 133421368) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is N-[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide
PubChem CID133421368
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC NameN-[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide
SMILESCCCN(C(=O)c1cccs1)C1CCN(c2ccc(C#N)nn2)CC1
InChIInChI=1S/C18H21N5OS/c1-2-9-23(18(24)16-4-3-12-25-16)15-7-10-22(11-8-15)17-6-5-14(13-19)20-21-17/h3-6,12,15H,2,7-11H2,1H3
InChIKeyLOGLUWVZWRJELD-UHFFFAOYSA-N
XLogP2.93
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-methylpiperidin-4-yl)-N-propylthiophene-2-carboxamide
CID 4231172
N-[1-(2-amino-2-methylpropyl)piperidin-4-yl]-N-propylthiophene-2-carboxamide
CID 120854150
N-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide
CID 133386277
N-[1-(4-oxo-3H-quinazolin-2-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide
CID 137265056
N-[1-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperidin-4-yl]-N-propylthiophene-2-carboxamide
CID 124626949
6-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]pyridazine-3-carbonitrile
CID 133433199
6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 145425808
N-cyclopropyl-N-(3-methylbutyl)thiophene-2-carboxamide
CID 60733247
N-[1-(1H-indazol-6-ylmethyl)piperidin-4-yl]-N-propylthiophene-2-carboxamide
CID 126801368
6-[4-(methylamino)piperidin-1-yl]pyridazine-3-carbonitrile;hydrochloride
CID 121283820
N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide
CID 46147144
N-propyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide
CID 91704675

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide?
The IUPAC name of N-[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide (CID 133421368) is N-[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide is CCCN(C(=O)c1cccs1)C1CCN(c2ccc(C#N)nn2)CC1.
What is the InChIKey of N-[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide?
The InChIKey is LOGLUWVZWRJELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-2-9-23(18(24)16-4-3-12-25-16)15-7-10-22(11-8-15)17-6-5-14(13-19)20-21-17/h3-6,12,15H,2,7-11H2,1H3.
What are the key properties of N-[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide?
N-[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide has a molecular weight of 355.47 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 133421368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).