methyl 6-[formyl(pyridin-3-yl)amino]hexanoate

C13H18N2O3 — CID 71430476

IUPACmethyl 6-[formyl(pyridin-3-yl)amino]hexanoate
SMILESCOC(=O)CCCCCN(C=O)c1cccnc1
InChIInChI=1S/C13H18N2O3/c1-18-13(17)7-3-2-4-9-15(11-16)12-6-5-8-14-10-12/h5-6,8,10-11H,2-4,7,9H2,1H3
InChIKeyBFMSHLUFWOWTKK-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.78
Rot. Bonds8

About methyl 6-[formyl(pyridin-3-yl)amino]hexanoate

methyl 6-[formyl(pyridin-3-yl)amino]hexanoate (PubChem CID 71430476) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl 6-[formyl(pyridin-3-yl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[formyl(pyridin-3-yl)amino]hexanoate
PubChem CID71430476
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namemethyl 6-[formyl(pyridin-3-yl)amino]hexanoate
SMILESCOC(=O)CCCCCN(C=O)c1cccnc1
InChIInChI=1S/C13H18N2O3/c1-18-13(17)7-3-2-4-9-15(11-16)12-6-5-8-14-10-12/h5-6,8,10-11H,2-4,7,9H2,1H3
InChIKeyBFMSHLUFWOWTKK-UHFFFAOYSA-N
XLogP1.78
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(111C)methyl 3-pyridin-3-ylpropanoate
CID 11816043
methyl 7-(pyridin-3-ylsulfonylamino)heptanoate
CID 87038191
methyl 6-(N-acetylanilino)hexanoate
CID 14219907
methyl 3-[methyl-(2-pyridin-3-ylacetyl)amino]propanoate
CID 62691426
methyl 9-amino-9-oxo-8-pyridin-3-ylnonanoate
CID 10333786
dodecanoyl pyridine-3-carboxylate
CID 23450156
pyridin-3-ylmethyl hexatetracontanoate
CID 102180878
methyl 4-[(2-methyl-2-pyridin-3-ylpropyl)amino]butanoate
CID 115233553
ethyl 7-[(3-methyl-1,2,4-thiadiazol-5-yl)-pyridin-3-ylamino]heptanoate
CID 90134033
methyl 4-oxo-4-pyridin-3-ylbutanoate
CID 15913004
methyl N-methoxycarbonyl-N-pyridin-3-ylcarbamate
CID 138436775
methyl 3-[ethyl(pyridin-3-ylsulfonyl)amino]propanoate
CID 54899558

Frequently Asked Questions

What is the IUPAC name of methyl 6-[formyl(pyridin-3-yl)amino]hexanoate?
The IUPAC name of methyl 6-[formyl(pyridin-3-yl)amino]hexanoate (CID 71430476) is methyl 6-[formyl(pyridin-3-yl)amino]hexanoate.
What is the SMILES notation for methyl 6-[formyl(pyridin-3-yl)amino]hexanoate?
The canonical SMILES for methyl 6-[formyl(pyridin-3-yl)amino]hexanoate is COC(=O)CCCCCN(C=O)c1cccnc1.
What is the InChIKey of methyl 6-[formyl(pyridin-3-yl)amino]hexanoate?
The InChIKey is BFMSHLUFWOWTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-18-13(17)7-3-2-4-9-15(11-16)12-6-5-8-14-10-12/h5-6,8,10-11H,2-4,7,9H2,1H3.
What are the key properties of methyl 6-[formyl(pyridin-3-yl)amino]hexanoate?
methyl 6-[formyl(pyridin-3-yl)amino]hexanoate has a molecular weight of 250.30 g/mol, XLogP of 1.78, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[formyl(pyridin-3-yl)amino]hexanoate is sourced from PubChem (CID 71430476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).