3-[(1S)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-N-(3-cyanophenyl)benzamide

C21H17ClN4O2 — CID 163204610

IUPAC3-[(1S)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-N-(3-cyanophenyl)benzamide
SMILESC[C@H](Oc1cc(Cl)cnc1N)c1cccc(C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C21H17ClN4O2/c1-13(28-19-10-17(22)12-25-20(19)24)15-5-3-6-16(9-15)21(27)26-18-7-2-4-14(8-18)11-23/h2-10,12-13H,1H3,(H2,24,25)(H,26,27)/t13-/m0/s1
InChIKeyQHWLSLNGKKHRSI-ZDUSSCGKSA-N
MW392.85 g/mol
LogP4.58
Rot. Bonds5

About 3-[(1S)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-N-(3-cyanophenyl)benzamide

3-[(1S)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-N-(3-cyanophenyl)benzamide (PubChem CID 163204610) has the molecular formula C21H17ClN4O2 and a molecular weight of 392.85 g/mol. Its IUPAC name is 3-[(1S)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-N-(3-cyanophenyl)benzamide.

Molecular Properties

Compound Name3-[(1S)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-N-(3-cyanophenyl)benzamide
PubChem CID163204610
Molecular FormulaC21H17ClN4O2
Molecular Weight392.85 g/mol
Exact Mass392.10
IUPAC Name3-[(1S)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-N-(3-cyanophenyl)benzamide
SMILESC[C@H](Oc1cc(Cl)cnc1N)c1cccc(C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C21H17ClN4O2/c1-13(28-19-10-17(22)12-25-20(19)24)15-5-3-6-16(9-15)21(27)26-18-7-2-4-14(8-18)11-23/h2-10,12-13H,1H3,(H2,24,25)(H,26,27)/t13-/m0/s1
InChIKeyQHWLSLNGKKHRSI-ZDUSSCGKSA-N
XLogP4.58
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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]-3-methylbenzamide
CID 139489308
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-(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-[(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
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
benzyl (2R)-2-[(2-amino-5-chloro-3-pyridinyl)oxy]-2-[3-[(3-methylphenyl)carbamoyl]phenyl]acetate
CID 139506970

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-N-(3-cyanophenyl)benzamide?
The IUPAC name of 3-[(1S)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-N-(3-cyanophenyl)benzamide (CID 163204610) is 3-[(1S)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-N-(3-cyanophenyl)benzamide.
What is the SMILES notation for 3-[(1S)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-N-(3-cyanophenyl)benzamide?
The canonical SMILES for 3-[(1S)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-N-(3-cyanophenyl)benzamide is C[C@H](Oc1cc(Cl)cnc1N)c1cccc(C(=O)Nc2cccc(C#N)c2)c1.
What is the InChIKey of 3-[(1S)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-N-(3-cyanophenyl)benzamide?
The InChIKey is QHWLSLNGKKHRSI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H17ClN4O2/c1-13(28-19-10-17(22)12-25-20(19)24)15-5-3-6-16(9-15)21(27)26-18-7-2-4-14(8-18)11-23/h2-10,12-13H,1H3,(H2,24,25)(H,26,27)/t13-/m0/s1.
What are the key properties of 3-[(1S)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-N-(3-cyanophenyl)benzamide?
3-[(1S)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-N-(3-cyanophenyl)benzamide has a molecular weight of 392.85 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-N-(3-cyanophenyl)benzamide is sourced from PubChem (CID 163204610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).