4-amino-5-chloro-N-[2-[ethyl(pyridin-2-ylmethyl)amino]ethyl]-2-methoxybenzamide

C18H23ClN4O2 — CID 12861884

IUPAC4-amino-5-chloro-N-[2-[ethyl(pyridin-2-ylmethyl)amino]ethyl]-2-methoxybenzamide
SMILESCCN(CCNC(=O)c1cc(Cl)c(N)cc1OC)Cc1ccccn1
InChIInChI=1S/C18H23ClN4O2/c1-3-23(12-13-6-4-5-7-21-13)9-8-22-18(24)14-10-15(19)16(20)11-17(14)25-2/h4-7,10-11H,3,8-9,12,20H2,1-2H3,(H,22,24)
InChIKeyPUWMPAVEDJLRQX-UHFFFAOYSA-N
MW362.86 g/mol
LogP2.58
Rot. Bonds8

About 4-amino-5-chloro-N-[2-[ethyl(pyridin-2-ylmethyl)amino]ethyl]-2-methoxybenzamide

4-amino-5-chloro-N-[2-[ethyl(pyridin-2-ylmethyl)amino]ethyl]-2-methoxybenzamide (PubChem CID 12861884) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is 4-amino-5-chloro-N-[2-[ethyl(pyridin-2-ylmethyl)amino]ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name4-amino-5-chloro-N-[2-[ethyl(pyridin-2-ylmethyl)amino]ethyl]-2-methoxybenzamide
PubChem CID12861884
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC Name4-amino-5-chloro-N-[2-[ethyl(pyridin-2-ylmethyl)amino]ethyl]-2-methoxybenzamide
SMILESCCN(CCNC(=O)c1cc(Cl)c(N)cc1OC)Cc1ccccn1
InChIInChI=1S/C18H23ClN4O2/c1-3-23(12-13-6-4-5-7-21-13)9-8-22-18(24)14-10-15(19)16(20)11-17(14)25-2/h4-7,10-11H,3,8-9,12,20H2,1-2H3,(H,22,24)
InChIKeyPUWMPAVEDJLRQX-UHFFFAOYSA-N
XLogP2.58
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-[2-[ethyl(pyridin-2-ylmethyl)amino]ethyl]-2-methoxybenzamide?
The IUPAC name of 4-amino-5-chloro-N-[2-[ethyl(pyridin-2-ylmethyl)amino]ethyl]-2-methoxybenzamide (CID 12861884) is 4-amino-5-chloro-N-[2-[ethyl(pyridin-2-ylmethyl)amino]ethyl]-2-methoxybenzamide.
What is the SMILES notation for 4-amino-5-chloro-N-[2-[ethyl(pyridin-2-ylmethyl)amino]ethyl]-2-methoxybenzamide?
The canonical SMILES for 4-amino-5-chloro-N-[2-[ethyl(pyridin-2-ylmethyl)amino]ethyl]-2-methoxybenzamide is CCN(CCNC(=O)c1cc(Cl)c(N)cc1OC)Cc1ccccn1.
What is the InChIKey of 4-amino-5-chloro-N-[2-[ethyl(pyridin-2-ylmethyl)amino]ethyl]-2-methoxybenzamide?
The InChIKey is PUWMPAVEDJLRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c1-3-23(12-13-6-4-5-7-21-13)9-8-22-18(24)14-10-15(19)16(20)11-17(14)25-2/h4-7,10-11H,3,8-9,12,20H2,1-2H3,(H,22,24).
What are the key properties of 4-amino-5-chloro-N-[2-[ethyl(pyridin-2-ylmethyl)amino]ethyl]-2-methoxybenzamide?
4-amino-5-chloro-N-[2-[ethyl(pyridin-2-ylmethyl)amino]ethyl]-2-methoxybenzamide has a molecular weight of 362.86 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-N-[2-[ethyl(pyridin-2-ylmethyl)amino]ethyl]-2-methoxybenzamide is sourced from PubChem (CID 12861884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).