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

C20H19ClN4O2 — CID 139489372

IUPACN-[6-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-pyridinyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cccc([C@@H](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)/t13-/m1/s1
InChIKeyJVACSJDWXGJBQW-CYBMUJFWSA-N
MW382.85 g/mol
LogP4.41
Rot. Bonds5

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

N-[6-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-pyridinyl]-3-methylbenzamide (PubChem CID 139489372) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-[6-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-pyridinyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[6-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-pyridinyl]-3-methylbenzamide
PubChem CID139489372
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC NameN-[6-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-pyridinyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cccc([C@@H](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)/t13-/m1/s1
InChIKeyJVACSJDWXGJBQW-CYBMUJFWSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-pyridinyl]-3-methylbenzamide?
The IUPAC name of N-[6-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-pyridinyl]-3-methylbenzamide (CID 139489372) is N-[6-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-pyridinyl]-3-methylbenzamide.
What is the SMILES notation for N-[6-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-pyridinyl]-3-methylbenzamide?
The canonical SMILES for N-[6-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-pyridinyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2cccc([C@@H](C)Oc3cc(Cl)cnc3N)n2)c1.
What is the InChIKey of N-[6-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-pyridinyl]-3-methylbenzamide?
The InChIKey is JVACSJDWXGJBQW-CYBMUJFWSA-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)/t13-/m1/s1.
What are the key properties of N-[6-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-pyridinyl]-3-methylbenzamide?
N-[6-[(1R)-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-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]-2-pyridinyl]-3-methylbenzamide is sourced from PubChem (CID 139489372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).