N-[4-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]-2-methoxyphenyl]acetamide

C22H22ClN3O3 — CID 78895433

IUPACN-[4-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]-2-methoxyphenyl]acetamide
SMILESCOc1cc(NCc2cc(Cl)ccc2OCc2cccnc2)ccc1NC(C)=O
InChIInChI=1S/C22H22ClN3O3/c1-15(27)26-20-7-6-19(11-22(20)28-2)25-13-17-10-18(23)5-8-21(17)29-14-16-4-3-9-24-12-16/h3-12,25H,13-14H2,1-2H3,(H,26,27)
InChIKeyOCZXRRJTZOPGHE-UHFFFAOYSA-N
MW411.89 g/mol
LogP4.89
Rot. Bonds8

About N-[4-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]-2-methoxyphenyl]acetamide

N-[4-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]-2-methoxyphenyl]acetamide (PubChem CID 78895433) has the molecular formula C22H22ClN3O3 and a molecular weight of 411.89 g/mol. Its IUPAC name is N-[4-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]-2-methoxyphenyl]acetamide
PubChem CID78895433
Molecular FormulaC22H22ClN3O3
Molecular Weight411.89 g/mol
Exact Mass411.13
IUPAC NameN-[4-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]-2-methoxyphenyl]acetamide
SMILESCOc1cc(NCc2cc(Cl)ccc2OCc2cccnc2)ccc1NC(C)=O
InChIInChI=1S/C22H22ClN3O3/c1-15(27)26-20-7-6-19(11-22(20)28-2)25-13-17-10-18(23)5-8-21(17)29-14-16-4-3-9-24-12-16/h3-12,25H,13-14H2,1-2H3,(H,26,27)
InChIKeyOCZXRRJTZOPGHE-UHFFFAOYSA-N
XLogP4.89
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylsulfanyl]phenyl]acetamide
CID 55767821
N-[(5-chloro-2-methoxyphenyl)methyl]pyridin-3-amine
CID 54905217
N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 43275372
3-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine
CID 39869127
N-[4-[(3-hydroxyphenyl)methylamino]-2-methoxyphenyl]acetamide
CID 43672974
2-chloro-4,5-difluoro-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 55643410
2-(2,4-dimethoxyphenyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 43069801
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-methylbutanamide
CID 42958626
N-(2-methoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191392
N-(5-acetamido-2-methoxyphenyl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 39106187
2-chloro-5-[[3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylamino]benzoic acid
CID 17058523
3-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]-1-hydroxypiperidin-2-one
CID 155937771

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]-2-methoxyphenyl]acetamide?
The IUPAC name of N-[4-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]-2-methoxyphenyl]acetamide (CID 78895433) is N-[4-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[4-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[4-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]-2-methoxyphenyl]acetamide is COc1cc(NCc2cc(Cl)ccc2OCc2cccnc2)ccc1NC(C)=O.
What is the InChIKey of N-[4-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]-2-methoxyphenyl]acetamide?
The InChIKey is OCZXRRJTZOPGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3/c1-15(27)26-20-7-6-19(11-22(20)28-2)25-13-17-10-18(23)5-8-21(17)29-14-16-4-3-9-24-12-16/h3-12,25H,13-14H2,1-2H3,(H,26,27).
What are the key properties of N-[4-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]-2-methoxyphenyl]acetamide?
N-[4-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]-2-methoxyphenyl]acetamide has a molecular weight of 411.89 g/mol, XLogP of 4.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 78895433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).