N-[4-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]oxy]phenyl]thiophene-2-carboxamide

C22H20ClN3O3S — CID 56584658

IUPACN-[4-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]oxy]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ncc(C(=O)N3CCCCC3)cc2Cl)cc1)c1cccs1
InChIInChI=1S/C22H20ClN3O3S/c23-18-13-15(22(28)26-10-2-1-3-11-26)14-24-21(18)29-17-8-6-16(7-9-17)25-20(27)19-5-4-12-30-19/h4-9,12-14H,1-3,10-11H2,(H,25,27)
InChIKeyGTNVKUYPWLLFJW-UHFFFAOYSA-N
MW441.94 g/mol
LogP5.47
Rot. Bonds5

About N-[4-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]oxy]phenyl]thiophene-2-carboxamide

N-[4-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]oxy]phenyl]thiophene-2-carboxamide (PubChem CID 56584658) has the molecular formula C22H20ClN3O3S and a molecular weight of 441.94 g/mol. Its IUPAC name is N-[4-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]oxy]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]oxy]phenyl]thiophene-2-carboxamide
PubChem CID56584658
Molecular FormulaC22H20ClN3O3S
Molecular Weight441.94 g/mol
Exact Mass441.09
IUPAC NameN-[4-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]oxy]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ncc(C(=O)N3CCCCC3)cc2Cl)cc1)c1cccs1
InChIInChI=1S/C22H20ClN3O3S/c23-18-13-15(22(28)26-10-2-1-3-11-26)14-24-21(18)29-17-8-6-16(7-9-17)25-20(27)19-5-4-12-30-19/h4-9,12-14H,1-3,10-11H2,(H,25,27)
InChIKeyGTNVKUYPWLLFJW-UHFFFAOYSA-N
XLogP5.47
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.94
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 761867
[5-chloro-6-(4-ethylphenoxy)-3-pyridinyl]-piperidin-1-ylmethanone
CID 55809533
N-[5-(azocane-1-carbonyl)-2-chlorophenyl]thiophene-2-carboxamide
CID 51145614
dimethyl 5-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]oxy]benzene-1,3-dicarboxylate
CID 56584563
N-[5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 41282701
N-(4-pyrimidin-2-yloxyphenyl)thiophene-2-carboxamide
CID 51173208
[4-(thiophene-2-carbonylamino)phenyl] 6-chloropyridine-3-carboxylate
CID 30250811
N-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 653867
N-[4-[(3,5-dichloro-4-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 1136350
N-[4-[4-[3-(4-methoxyphenyl)propanoyl]-1,4-diazepane-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 47093375
4-phenoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55532346
N-[4-[(4-pyrimidin-2-yloxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 55833588

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]oxy]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]oxy]phenyl]thiophene-2-carboxamide (CID 56584658) is N-[4-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]oxy]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]oxy]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]oxy]phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(Oc2ncc(C(=O)N3CCCCC3)cc2Cl)cc1)c1cccs1.
What is the InChIKey of N-[4-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]oxy]phenyl]thiophene-2-carboxamide?
The InChIKey is GTNVKUYPWLLFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O3S/c23-18-13-15(22(28)26-10-2-1-3-11-26)14-24-21(18)29-17-8-6-16(7-9-17)25-20(27)19-5-4-12-30-19/h4-9,12-14H,1-3,10-11H2,(H,25,27).
What are the key properties of N-[4-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]oxy]phenyl]thiophene-2-carboxamide?
N-[4-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]oxy]phenyl]thiophene-2-carboxamide has a molecular weight of 441.94 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]oxy]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 56584658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).