N-(3-aminopropyl)-2-[(2-chloro-3-pyridinyl)-phenylmethoxy]acetamide

C17H20ClN3O2 — CID 45488311

IUPACN-(3-aminopropyl)-2-[(2-chloro-3-pyridinyl)-phenylmethoxy]acetamide
SMILESNCCCNC(=O)COC(c1ccccc1)c1cccnc1Cl
InChIInChI=1S/C17H20ClN3O2/c18-17-14(8-4-10-21-17)16(13-6-2-1-3-7-13)23-12-15(22)20-11-5-9-19/h1-4,6-8,10,16H,5,9,11-12,19H2,(H,20,22)
InChIKeyHJTSTIYUVUZUFN-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.31
Rot. Bonds8

About N-(3-aminopropyl)-2-[(2-chloro-3-pyridinyl)-phenylmethoxy]acetamide

N-(3-aminopropyl)-2-[(2-chloro-3-pyridinyl)-phenylmethoxy]acetamide (PubChem CID 45488311) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-[(2-chloro-3-pyridinyl)-phenylmethoxy]acetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-[(2-chloro-3-pyridinyl)-phenylmethoxy]acetamide
PubChem CID45488311
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC NameN-(3-aminopropyl)-2-[(2-chloro-3-pyridinyl)-phenylmethoxy]acetamide
SMILESNCCCNC(=O)COC(c1ccccc1)c1cccnc1Cl
InChIInChI=1S/C17H20ClN3O2/c18-17-14(8-4-10-21-17)16(13-6-2-1-3-7-13)23-12-15(22)20-11-5-9-19/h1-4,6-8,10,16H,5,9,11-12,19H2,(H,20,22)
InChIKeyHJTSTIYUVUZUFN-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-[(2-chloro-3-pyridinyl)-phenylmethoxy]acetamide?
The IUPAC name of N-(3-aminopropyl)-2-[(2-chloro-3-pyridinyl)-phenylmethoxy]acetamide (CID 45488311) is N-(3-aminopropyl)-2-[(2-chloro-3-pyridinyl)-phenylmethoxy]acetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-[(2-chloro-3-pyridinyl)-phenylmethoxy]acetamide?
The canonical SMILES for N-(3-aminopropyl)-2-[(2-chloro-3-pyridinyl)-phenylmethoxy]acetamide is NCCCNC(=O)COC(c1ccccc1)c1cccnc1Cl.
What is the InChIKey of N-(3-aminopropyl)-2-[(2-chloro-3-pyridinyl)-phenylmethoxy]acetamide?
The InChIKey is HJTSTIYUVUZUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c18-17-14(8-4-10-21-17)16(13-6-2-1-3-7-13)23-12-15(22)20-11-5-9-19/h1-4,6-8,10,16H,5,9,11-12,19H2,(H,20,22).
What are the key properties of N-(3-aminopropyl)-2-[(2-chloro-3-pyridinyl)-phenylmethoxy]acetamide?
N-(3-aminopropyl)-2-[(2-chloro-3-pyridinyl)-phenylmethoxy]acetamide has a molecular weight of 333.82 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-[(2-chloro-3-pyridinyl)-phenylmethoxy]acetamide is sourced from PubChem (CID 45488311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).