N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-methoxybenzamide

C21H20ClN3O3 — CID 139489368

IUPACN-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cccc([C@@H](C)Oc3cc(Cl)cnc3N)c2)c1
InChIInChI=1S/C21H20ClN3O3/c1-13(28-19-11-16(22)12-24-20(19)23)14-5-3-7-17(9-14)25-21(26)15-6-4-8-18(10-15)27-2/h3-13H,1-2H3,(H2,23,24)(H,25,26)/t13-/m1/s1
InChIKeyYWCIBALKLKFTEY-CYBMUJFWSA-N
MW397.86 g/mol
LogP4.72
Rot. Bonds6

About N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-methoxybenzamide

N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-methoxybenzamide (PubChem CID 139489368) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-methoxybenzamide
PubChem CID139489368
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC NameN-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cccc([C@@H](C)Oc3cc(Cl)cnc3N)c2)c1
InChIInChI=1S/C21H20ClN3O3/c1-13(28-19-11-16(22)12-24-20(19)23)14-5-3-7-17(9-14)25-21(26)15-6-4-8-18(10-15)27-2/h3-13H,1-2H3,(H2,23,24)(H,25,26)/t13-/m1/s1
InChIKeyYWCIBALKLKFTEY-CYBMUJFWSA-N
XLogP4.72
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-methylbenzamide
CID 139489308
3-[(1S)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-N-(3-cyanophenyl)benzamide
CID 163204610
N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-(trifluoromethyl)benzamide
CID 139489207
N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-4-fluoro-3-methylbenzamide
CID 139489285
N-[3-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-4-fluoro-3-methylbenzamide
CID 166039897
N-[3-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-chloro-5-methylbenzamide
CID 166039896
N-[3-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-(1-cyanocyclopropyl)benzamide
CID 166039838
N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-(1-isocyanocyclopropyl)benzamide
CID 166039827
benzyl (2R)-2-[(2-amino-5-chloro-3-pyridinyl)oxy]-2-[3-[(3-methoxyphenyl)carbamoyl]phenyl]acetate
CID 139506960
N-[3-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-1,1-dioxo-2,3-dihydro-1-benzothiophene-5-carboxamide
CID 166039821
N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-1-methyl-3,4-dihydro-2H-quinoline-7-carboxamide
CID 139489334
N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 139506738

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-methoxybenzamide?
The IUPAC name of N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-methoxybenzamide (CID 139489368) is N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2cccc([C@@H](C)Oc3cc(Cl)cnc3N)c2)c1.
What is the InChIKey of N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-methoxybenzamide?
The InChIKey is YWCIBALKLKFTEY-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-13(28-19-11-16(22)12-24-20(19)23)14-5-3-7-17(9-14)25-21(26)15-6-4-8-18(10-15)27-2/h3-13H,1-2H3,(H2,23,24)(H,25,26)/t13-/m1/s1.
What are the key properties of N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-methoxybenzamide?
N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-methoxybenzamide has a molecular weight of 397.86 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-methoxybenzamide is sourced from PubChem (CID 139489368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).