methyl 4-[3-[[2-(6-amino-3-pyridinyl)-2-hydroxyacetyl]amino]propyl]-3-methoxybenzoate

C19H23N3O5 — CID 19851912

IUPACmethyl 4-[3-[[2-(6-amino-3-pyridinyl)-2-hydroxyacetyl]amino]propyl]-3-methoxybenzoate
SMILESCOC(=O)c1ccc(CCCNC(=O)C(O)c2ccc(N)nc2)c(OC)c1
InChIInChI=1S/C19H23N3O5/c1-26-15-10-13(19(25)27-2)6-5-12(15)4-3-9-21-18(24)17(23)14-7-8-16(20)22-11-14/h5-8,10-11,17,23H,3-4,9H2,1-2H3,(H2,20,22)(H,21,24)
InChIKeyKPVNMUVJAFGYQW-UHFFFAOYSA-N
MW373.41 g/mol
LogP1.24
Rot. Bonds8

About methyl 4-[3-[[2-(6-amino-3-pyridinyl)-2-hydroxyacetyl]amino]propyl]-3-methoxybenzoate

methyl 4-[3-[[2-(6-amino-3-pyridinyl)-2-hydroxyacetyl]amino]propyl]-3-methoxybenzoate (PubChem CID 19851912) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is methyl 4-[3-[[2-(6-amino-3-pyridinyl)-2-hydroxyacetyl]amino]propyl]-3-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-[3-[[2-(6-amino-3-pyridinyl)-2-hydroxyacetyl]amino]propyl]-3-methoxybenzoate
PubChem CID19851912
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Namemethyl 4-[3-[[2-(6-amino-3-pyridinyl)-2-hydroxyacetyl]amino]propyl]-3-methoxybenzoate
SMILESCOC(=O)c1ccc(CCCNC(=O)C(O)c2ccc(N)nc2)c(OC)c1
InChIInChI=1S/C19H23N3O5/c1-26-15-10-13(19(25)27-2)6-5-12(15)4-3-9-21-18(24)17(23)14-7-8-16(20)22-11-14/h5-8,10-11,17,23H,3-4,9H2,1-2H3,(H2,20,22)(H,21,24)
InChIKeyKPVNMUVJAFGYQW-UHFFFAOYSA-N
XLogP1.24
TPSA123.77 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 4-[3-[[2-(6-amino-3-pyridinyl)-2-hydroxyacetyl]amino]propyl]-3-methoxybenzoate with MolForge

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Related Compounds

methyl 4-(2-aminoethyl)-3-methoxybenzoate;hydrochloride
CID 67396298
methyl 3-methoxy-4-(methoxymethyl)benzoate
CID 134128516
3,4-dimethoxy-N-[3-(2-methoxyphenyl)propyl]benzamide
CID 99995361
methyl 4-amino-3-methoxybenzoate
CID 602411
[(2-methoxy-4-methoxycarbonylphenyl)methylamino]carbamic acid
CID 166681453
methyl 4-[2-[5-[1-hydroxy-2-(propylcarbamoyl)butyl]-1-propylindol-3-yl]ethyl]-3-methoxybenzoate
CID 67834963
methyl 3-methoxy-4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoate
CID 8808009
2-(2-methoxy-4-propan-2-ylphenyl)ethylcarbamothioic S-acid
CID 115170285
methyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate
CID 15167932
methyl 4-[[2-[3-[2-[[(2S)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-methylpropyl]phenyl]acetyl]amino]-3-hydroxybenzoate
CID 69220178
4-(2-bromoethyl)-3-methoxybenzamide
CID 123699479
2-(dimethylamino)-N-[3-(2-methoxyphenyl)propyl]pyrimidine-5-carboxamide
CID 46963233

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-[[2-(6-amino-3-pyridinyl)-2-hydroxyacetyl]amino]propyl]-3-methoxybenzoate?
The IUPAC name of methyl 4-[3-[[2-(6-amino-3-pyridinyl)-2-hydroxyacetyl]amino]propyl]-3-methoxybenzoate (CID 19851912) is methyl 4-[3-[[2-(6-amino-3-pyridinyl)-2-hydroxyacetyl]amino]propyl]-3-methoxybenzoate.
What is the SMILES notation for methyl 4-[3-[[2-(6-amino-3-pyridinyl)-2-hydroxyacetyl]amino]propyl]-3-methoxybenzoate?
The canonical SMILES for methyl 4-[3-[[2-(6-amino-3-pyridinyl)-2-hydroxyacetyl]amino]propyl]-3-methoxybenzoate is COC(=O)c1ccc(CCCNC(=O)C(O)c2ccc(N)nc2)c(OC)c1.
What is the InChIKey of methyl 4-[3-[[2-(6-amino-3-pyridinyl)-2-hydroxyacetyl]amino]propyl]-3-methoxybenzoate?
The InChIKey is KPVNMUVJAFGYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-26-15-10-13(19(25)27-2)6-5-12(15)4-3-9-21-18(24)17(23)14-7-8-16(20)22-11-14/h5-8,10-11,17,23H,3-4,9H2,1-2H3,(H2,20,22)(H,21,24).
What are the key properties of methyl 4-[3-[[2-(6-amino-3-pyridinyl)-2-hydroxyacetyl]amino]propyl]-3-methoxybenzoate?
methyl 4-[3-[[2-(6-amino-3-pyridinyl)-2-hydroxyacetyl]amino]propyl]-3-methoxybenzoate has a molecular weight of 373.41 g/mol, XLogP of 1.24, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-[[2-(6-amino-3-pyridinyl)-2-hydroxyacetyl]amino]propyl]-3-methoxybenzoate is sourced from PubChem (CID 19851912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).