N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide

C18H21ClN4O2S — CID 97151424

IUPACN-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(c2ccc(Cl)nn2)CC1)c1ccc([C@@H]2CCCO2)s1
InChIInChI=1S/C18H21ClN4O2S/c19-16-5-6-17(22-21-16)23-9-7-12(8-10-23)20-18(24)15-4-3-14(26-15)13-2-1-11-25-13/h3-6,12-13H,1-2,7-11H2,(H,20,24)/t13-/m0/s1
InChIKeyVLEDAHBIUCYFEJ-ZDUSSCGKSA-N
MW392.91 g/mol
LogP3.44
Rot. Bonds4

About N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide

N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide (PubChem CID 97151424) has the molecular formula C18H21ClN4O2S and a molecular weight of 392.91 g/mol. Its IUPAC name is N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide
PubChem CID97151424
Molecular FormulaC18H21ClN4O2S
Molecular Weight392.91 g/mol
Exact Mass392.11
IUPAC NameN-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(c2ccc(Cl)nn2)CC1)c1ccc([C@@H]2CCCO2)s1
InChIInChI=1S/C18H21ClN4O2S/c19-16-5-6-17(22-21-16)23-9-7-12(8-10-23)20-18(24)15-4-3-14(26-15)13-2-1-11-25-13/h3-6,12-13H,1-2,7-11H2,(H,20,24)/t13-/m0/s1
InChIKeyVLEDAHBIUCYFEJ-ZDUSSCGKSA-N
XLogP3.44
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide
CID 97151425
N-(2,3-dihydro-1H-inden-2-yl)-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide
CID 97147711
ethyl N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]carbamate
CID 15124700
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 131889426
5-(oxolan-2-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)thiophene-2-carboxamide
CID 72923589
1-(6-chloropyridazin-3-yl)-N-[3-(cyclopropylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 35367631
(2R)-N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 97278500
1-(6-chloropyridazin-3-yl)azepan-4-ol
CID 130608611
CID 59303878
CID 59303878
N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 72910701
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 56744091
N-[1-[6-(azepan-1-yl)pyridazin-3-yl]piperidin-4-yl]-2-chloro-5-fluorobenzamide
CID 50845661

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide (CID 97151424) is N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide is O=C(NC1CCN(c2ccc(Cl)nn2)CC1)c1ccc([C@@H]2CCCO2)s1.
What is the InChIKey of N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide?
The InChIKey is VLEDAHBIUCYFEJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21ClN4O2S/c19-16-5-6-17(22-21-16)23-9-7-12(8-10-23)20-18(24)15-4-3-14(26-15)13-2-1-11-25-13/h3-6,12-13H,1-2,7-11H2,(H,20,24)/t13-/m0/s1.
What are the key properties of N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide?
N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide has a molecular weight of 392.91 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 97151424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).