2-(3-aminopropoxy)-3-methoxy-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]benzamide

C19H25N3O3 — CID 125170184

IUPAC2-(3-aminopropoxy)-3-methoxy-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]benzamide
SMILESCOc1cccc(C(=O)N[C@@H](C)c2cccc(C)n2)c1OCCCN
InChIInChI=1S/C19H25N3O3/c1-13-7-4-9-16(21-13)14(2)22-19(23)15-8-5-10-17(24-3)18(15)25-12-6-11-20/h4-5,7-10,14H,6,11-12,20H2,1-3H3,(H,22,23)/t14-/m0/s1
InChIKeyZPQMRFHLJGVKRC-AWEZNQCLSA-N
MW343.43 g/mol
LogP2.62
Rot. Bonds8

About 2-(3-aminopropoxy)-3-methoxy-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]benzamide

2-(3-aminopropoxy)-3-methoxy-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]benzamide (PubChem CID 125170184) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-(3-aminopropoxy)-3-methoxy-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]benzamide.

Molecular Properties

Compound Name2-(3-aminopropoxy)-3-methoxy-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]benzamide
PubChem CID125170184
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name2-(3-aminopropoxy)-3-methoxy-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]benzamide
SMILESCOc1cccc(C(=O)N[C@@H](C)c2cccc(C)n2)c1OCCCN
InChIInChI=1S/C19H25N3O3/c1-13-7-4-9-16(21-13)14(2)22-19(23)15-8-5-10-17(24-3)18(15)25-12-6-11-20/h4-5,7-10,14H,6,11-12,20H2,1-3H3,(H,22,23)/t14-/m0/s1
InChIKeyZPQMRFHLJGVKRC-AWEZNQCLSA-N
XLogP2.62
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminopropoxy)-3-methoxy-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 118787115
2-(3-aminopropoxy)-3-methoxy-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide
CID 118762255
2-(3-aminopropoxy)-3-methoxy-N-(1-thiophen-3-ylethyl)benzamide
CID 118790837
3-(2,6-dimethoxyphenoxy)propan-1-amine
CID 14025832
2-methoxy-N-[1-(6-methyl-2-pyridinyl)ethyl]pyridine-4-carboxamide
CID 122564636
2,3-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 51187767
2-(3-aminopropoxy)-4-chloro-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]benzamide
CID 118779895
ethane;N-[1-(6-methyl-2-pyridinyl)ethyl]acetamide
CID 177366227
2,3-dimethoxy-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 46432760
2-(3-aminopropoxy)-3-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 118774344
3-[(2,3-dimethoxybenzoyl)amino]butanoic acid
CID 43240642
2,3-dimethoxy-N-[(2R)-4-methylpentan-2-yl]benzamide
CID 837030

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropoxy)-3-methoxy-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]benzamide?
The IUPAC name of 2-(3-aminopropoxy)-3-methoxy-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]benzamide (CID 125170184) is 2-(3-aminopropoxy)-3-methoxy-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]benzamide.
What is the SMILES notation for 2-(3-aminopropoxy)-3-methoxy-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]benzamide?
The canonical SMILES for 2-(3-aminopropoxy)-3-methoxy-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]benzamide is COc1cccc(C(=O)N[C@@H](C)c2cccc(C)n2)c1OCCCN.
What is the InChIKey of 2-(3-aminopropoxy)-3-methoxy-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]benzamide?
The InChIKey is ZPQMRFHLJGVKRC-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13-7-4-9-16(21-13)14(2)22-19(23)15-8-5-10-17(24-3)18(15)25-12-6-11-20/h4-5,7-10,14H,6,11-12,20H2,1-3H3,(H,22,23)/t14-/m0/s1.
What are the key properties of 2-(3-aminopropoxy)-3-methoxy-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]benzamide?
2-(3-aminopropoxy)-3-methoxy-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]benzamide has a molecular weight of 343.43 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropoxy)-3-methoxy-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]benzamide is sourced from PubChem (CID 125170184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).