N-[6-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-pyridinyl]-3-methylbenzamide

C20H19ClN4O2 — CID 166039814

IUPACN-[6-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-pyridinyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cccc(C(C)Oc3cc(Cl)cnc3N)n2)c1
InChIInChI=1S/C20H19ClN4O2/c1-12-5-3-6-14(9-12)20(26)25-18-8-4-7-16(24-18)13(2)27-17-10-15(21)11-23-19(17)22/h3-11,13H,1-2H3,(H2,22,23)(H,24,25,26)
InChIKeyJVACSJDWXGJBQW-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.41
Rot. Bonds5

About N-[6-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-pyridinyl]-3-methylbenzamide

N-[6-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-pyridinyl]-3-methylbenzamide (PubChem CID 166039814) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-[6-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-pyridinyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[6-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-pyridinyl]-3-methylbenzamide
PubChem CID166039814
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC NameN-[6-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-pyridinyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cccc(C(C)Oc3cc(Cl)cnc3N)n2)c1
InChIInChI=1S/C20H19ClN4O2/c1-12-5-3-6-14(9-12)20(26)25-18-8-4-7-16(24-18)13(2)27-17-10-15(21)11-23-19(17)22/h3-11,13H,1-2H3,(H2,22,23)(H,24,25,26)
InChIKeyJVACSJDWXGJBQW-UHFFFAOYSA-N
XLogP4.41
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.41
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
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-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-methylphenyl]-3-methylsulfonylbenzamide
CID 139489314
benzyl (2R)-2-[(2-amino-5-chloro-3-pyridinyl)oxy]-2-[3-[(3-methylphenyl)carbamoyl]phenyl]acetate
CID 139506970
N-[2-[(1S)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-3-ethylphenyl]benzamide
CID 166039761
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]-3-(1-cyanocyclopropyl)benzamide
CID 166039838

Frequently Asked Questions

What is the IUPAC name of N-[6-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-pyridinyl]-3-methylbenzamide?
The IUPAC name of N-[6-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-pyridinyl]-3-methylbenzamide (CID 166039814) is N-[6-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-pyridinyl]-3-methylbenzamide.
What is the SMILES notation for N-[6-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-pyridinyl]-3-methylbenzamide?
The canonical SMILES for N-[6-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-pyridinyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2cccc(C(C)Oc3cc(Cl)cnc3N)n2)c1.
What is the InChIKey of N-[6-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-pyridinyl]-3-methylbenzamide?
The InChIKey is JVACSJDWXGJBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-12-5-3-6-14(9-12)20(26)25-18-8-4-7-16(24-18)13(2)27-17-10-15(21)11-23-19(17)22/h3-11,13H,1-2H3,(H2,22,23)(H,24,25,26).
What are the key properties of N-[6-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-pyridinyl]-3-methylbenzamide?
N-[6-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-pyridinyl]-3-methylbenzamide has a molecular weight of 382.85 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-pyridinyl]-3-methylbenzamide is sourced from PubChem (CID 166039814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).