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

C21H20ClN3O2 — CID 139489308

IUPACN-[3-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cccc(C(C)Oc3cc(Cl)cnc3N)c2)c1
InChIInChI=1S/C21H20ClN3O2/c1-13-5-3-7-16(9-13)21(26)25-18-8-4-6-15(10-18)14(2)27-19-11-17(22)12-24-20(19)23/h3-12,14H,1-2H3,(H2,23,24)(H,25,26)
InChIKeyYTUVYLXOKFEBSV-UHFFFAOYSA-N
MW381.86 g/mol
LogP5.02
Rot. Bonds5

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

N-[3-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-methylbenzamide (PubChem CID 139489308) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is N-[3-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-methylbenzamide
PubChem CID139489308
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC NameN-[3-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cccc(C(C)Oc3cc(Cl)cnc3N)c2)c1
InChIInChI=1S/C21H20ClN3O2/c1-13-5-3-7-16(9-13)21(26)25-18-8-4-6-15(10-18)14(2)27-19-11-17(22)12-24-20(19)23/h3-12,14H,1-2H3,(H2,23,24)(H,25,26)
InChIKeyYTUVYLXOKFEBSV-UHFFFAOYSA-N
XLogP5.02
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.86
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-chloro-5-methylbenzamide
CID 166039896
N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-methoxybenzamide
CID 139489368
N-[3-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-4-fluoro-3-methylbenzamide
CID 166039897
N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-4-fluoro-3-methylbenzamide
CID 139489285
N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-(trifluoromethyl)benzamide
CID 139489207
3-[(1S)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-N-(3-cyanophenyl)benzamide
CID 163204610
N-[6-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-pyridinyl]-3-methylbenzamide
CID 166039814
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
N-[3-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-1,1-dioxo-2,3-dihydro-1-benzothiophene-5-carboxamide
CID 166039821
benzyl (2R)-2-[(2-amino-5-chloro-3-pyridinyl)oxy]-2-[3-[(3-methylphenyl)carbamoyl]phenyl]acetate
CID 139506970
N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-1-methyl-3,4-dihydro-2H-quinoline-7-carboxamide
CID 139489334

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-methylbenzamide?
The IUPAC name of N-[3-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-methylbenzamide (CID 139489308) is N-[3-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[3-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-methylbenzamide?
The canonical SMILES for N-[3-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2cccc(C(C)Oc3cc(Cl)cnc3N)c2)c1.
What is the InChIKey of N-[3-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-methylbenzamide?
The InChIKey is YTUVYLXOKFEBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-13-5-3-7-16(9-13)21(26)25-18-8-4-6-15(10-18)14(2)27-19-11-17(22)12-24-20(19)23/h3-12,14H,1-2H3,(H2,23,24)(H,25,26).
What are the key properties of N-[3-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-methylbenzamide?
N-[3-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-methylbenzamide has a molecular weight of 381.86 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-methylbenzamide is sourced from PubChem (CID 139489308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).