4-[3-chloro-5-[(2-ethoxyethylamino)methyl]-2-pyridinyl]benzamide

C17H20ClN3O2 — CID 175903349

IUPAC4-[3-chloro-5-[(2-ethoxyethylamino)methyl]-2-pyridinyl]benzamide
SMILESCCOCCNCc1cnc(-c2ccc(C(N)=O)cc2)c(Cl)c1
InChIInChI=1S/C17H20ClN3O2/c1-2-23-8-7-20-10-12-9-15(18)16(21-11-12)13-3-5-14(6-4-13)17(19)22/h3-6,9,11,20H,2,7-8,10H2,1H3,(H2,19,22)
InChIKeyCGCFMDSPGUAFFQ-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.63
Rot. Bonds8

About 4-[3-chloro-5-[(2-ethoxyethylamino)methyl]-2-pyridinyl]benzamide

4-[3-chloro-5-[(2-ethoxyethylamino)methyl]-2-pyridinyl]benzamide (PubChem CID 175903349) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 4-[3-chloro-5-[(2-ethoxyethylamino)methyl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[3-chloro-5-[(2-ethoxyethylamino)methyl]-2-pyridinyl]benzamide
PubChem CID175903349
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name4-[3-chloro-5-[(2-ethoxyethylamino)methyl]-2-pyridinyl]benzamide
SMILESCCOCCNCc1cnc(-c2ccc(C(N)=O)cc2)c(Cl)c1
InChIInChI=1S/C17H20ClN3O2/c1-2-23-8-7-20-10-12-9-15(18)16(21-11-12)13-3-5-14(6-4-13)17(19)22/h3-6,9,11,20H,2,7-8,10H2,1H3,(H2,19,22)
InChIKeyCGCFMDSPGUAFFQ-UHFFFAOYSA-N
XLogP2.63
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-[(2-ethoxyethylamino)methyl]-2-pyridinyl]benzamide?
The IUPAC name of 4-[3-chloro-5-[(2-ethoxyethylamino)methyl]-2-pyridinyl]benzamide (CID 175903349) is 4-[3-chloro-5-[(2-ethoxyethylamino)methyl]-2-pyridinyl]benzamide.
What is the SMILES notation for 4-[3-chloro-5-[(2-ethoxyethylamino)methyl]-2-pyridinyl]benzamide?
The canonical SMILES for 4-[3-chloro-5-[(2-ethoxyethylamino)methyl]-2-pyridinyl]benzamide is CCOCCNCc1cnc(-c2ccc(C(N)=O)cc2)c(Cl)c1.
What is the InChIKey of 4-[3-chloro-5-[(2-ethoxyethylamino)methyl]-2-pyridinyl]benzamide?
The InChIKey is CGCFMDSPGUAFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-2-23-8-7-20-10-12-9-15(18)16(21-11-12)13-3-5-14(6-4-13)17(19)22/h3-6,9,11,20H,2,7-8,10H2,1H3,(H2,19,22).
What are the key properties of 4-[3-chloro-5-[(2-ethoxyethylamino)methyl]-2-pyridinyl]benzamide?
4-[3-chloro-5-[(2-ethoxyethylamino)methyl]-2-pyridinyl]benzamide has a molecular weight of 333.82 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-5-[(2-ethoxyethylamino)methyl]-2-pyridinyl]benzamide is sourced from PubChem (CID 175903349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).