3-chloro-4-pyridin-4-yloxy-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)benzamide

C22H20ClN3O2 — CID 166362478

IUPAC3-chloro-4-pyridin-4-yloxy-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)benzamide
SMILESO=C(NCC1Cc2ccccc2CN1)c1ccc(Oc2ccncc2)c(Cl)c1
InChIInChI=1S/C22H20ClN3O2/c23-20-12-16(5-6-21(20)28-19-7-9-24-10-8-19)22(27)26-14-18-11-15-3-1-2-4-17(15)13-25-18/h1-10,12,18,25H,11,13-14H2,(H,26,27)
InChIKeyMVGAOLLUHCEGAQ-UHFFFAOYSA-N
MW393.87 g/mol
LogP3.97
Rot. Bonds5

About 3-chloro-4-pyridin-4-yloxy-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)benzamide

3-chloro-4-pyridin-4-yloxy-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)benzamide (PubChem CID 166362478) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is 3-chloro-4-pyridin-4-yloxy-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-pyridin-4-yloxy-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)benzamide
PubChem CID166362478
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC Name3-chloro-4-pyridin-4-yloxy-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)benzamide
SMILESO=C(NCC1Cc2ccccc2CN1)c1ccc(Oc2ccncc2)c(Cl)c1
InChIInChI=1S/C22H20ClN3O2/c23-20-12-16(5-6-21(20)28-19-7-9-24-10-8-19)22(27)26-14-18-11-15-3-1-2-4-17(15)13-25-18/h1-10,12,18,25H,11,13-14H2,(H,26,27)
InChIKeyMVGAOLLUHCEGAQ-UHFFFAOYSA-N
XLogP3.97
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-chloro-4-pyridin-4-yloxy-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)benzamide with MolForge

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-3-chloro-4-pyridin-4-yloxybenzamide
CID 119602940
5-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 167851739
3-chloro-4-pyridin-4-yloxybenzoic acid;hydrochloride
CID 54593353
N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloro-4-pyridin-4-yloxybenzamide;dihydrochloride
CID 119574119
(3-chloro-4-pyridin-4-yloxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119540458
3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6472060
(4-aminopiperidin-1-yl)-(3-chloro-4-pyridin-4-yloxyphenyl)methanone;dihydrochloride
CID 119374896
1-(3-chloro-4-pyridin-4-yloxybenzoyl)pyrrolidine-2-carboxylic acid
CID 126769558
2-(2,4-dichlorophenoxy)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide
CID 119514700
(3-chloro-4-pyridin-4-yloxyphenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023340
cyclohex-2-en-1-yl 3-chloro-4-pyridin-4-yloxybenzoate
CID 166335052
2-hydroxy-N-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid
CID 158628161

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-pyridin-4-yloxy-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)benzamide?
The IUPAC name of 3-chloro-4-pyridin-4-yloxy-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)benzamide (CID 166362478) is 3-chloro-4-pyridin-4-yloxy-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-4-pyridin-4-yloxy-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-4-pyridin-4-yloxy-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)benzamide is O=C(NCC1Cc2ccccc2CN1)c1ccc(Oc2ccncc2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-pyridin-4-yloxy-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)benzamide?
The InChIKey is MVGAOLLUHCEGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c23-20-12-16(5-6-21(20)28-19-7-9-24-10-8-19)22(27)26-14-18-11-15-3-1-2-4-17(15)13-25-18/h1-10,12,18,25H,11,13-14H2,(H,26,27).
What are the key properties of 3-chloro-4-pyridin-4-yloxy-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)benzamide?
3-chloro-4-pyridin-4-yloxy-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)benzamide has a molecular weight of 393.87 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-pyridin-4-yloxy-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)benzamide is sourced from PubChem (CID 166362478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).