methyl 6-[bis(pyridin-2-ylmethyl)amino]hexanoate

C19H25N3O2 — CID 138976785

IUPACmethyl 6-[bis(pyridin-2-ylmethyl)amino]hexanoate
SMILESCOC(=O)CCCCCN(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C19H25N3O2/c1-24-19(23)11-3-2-8-14-22(15-17-9-4-6-12-20-17)16-18-10-5-7-13-21-18/h4-7,9-10,12-13H,2-3,8,11,14-16H2,1H3
InChIKeyFQFJZLLXALCPFH-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.21
Rot. Bonds10

About methyl 6-[bis(pyridin-2-ylmethyl)amino]hexanoate

methyl 6-[bis(pyridin-2-ylmethyl)amino]hexanoate (PubChem CID 138976785) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is methyl 6-[bis(pyridin-2-ylmethyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[bis(pyridin-2-ylmethyl)amino]hexanoate
PubChem CID138976785
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Namemethyl 6-[bis(pyridin-2-ylmethyl)amino]hexanoate
SMILESCOC(=O)CCCCCN(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C19H25N3O2/c1-24-19(23)11-3-2-8-14-22(15-17-9-4-6-12-20-17)16-18-10-5-7-13-21-18/h4-7,9-10,12-13H,2-3,8,11,14-16H2,1H3
InChIKeyFQFJZLLXALCPFH-UHFFFAOYSA-N
XLogP3.21
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 6-[bis(pyridin-2-ylmethyl)amino]hexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[bis(pyridin-2-ylmethyl)amino]octanoic acid
CID 67061848
undecyl 8-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(8-oxo-8-undecoxyoctyl)amino]octanoate
CID 177302508
15-[carboxymethyl(pyridin-2-ylmethyl)amino]pentadecanoic acid
CID 90804342
methyl 3-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]propaneperoxoate
CID 139496437
methyl 4-[methyl-(2-pyridin-2-ylacetyl)amino]butanoate
CID 55005922
methyl 3-[[4-(dimethylamino)-6-(hydroxymethyl)-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]propanoate
CID 10970388
methyl 4-[propan-2-yl(pyridin-2-ylmethyl)sulfamoyl]butanoate
CID 61460671
6-bromo-N-[(2-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)hexan-1-amine
CID 67128562
2-[3-[bis(pyridin-2-ylmethyl)amino]propoxy]acetic acid
CID 101459519
3-[bis(pyridin-2-ylmethyl)amino]-N-octadecylpropanamide
CID 10885861
6-[methyl(pyridin-2-ylmethyl)amino]hexan-2-one
CID 62051224
3-[ethyl(pyridin-2-ylmethyl)amino]propanoic acid
CID 61010631

Frequently Asked Questions

What is the IUPAC name of methyl 6-[bis(pyridin-2-ylmethyl)amino]hexanoate?
The IUPAC name of methyl 6-[bis(pyridin-2-ylmethyl)amino]hexanoate (CID 138976785) is methyl 6-[bis(pyridin-2-ylmethyl)amino]hexanoate.
What is the SMILES notation for methyl 6-[bis(pyridin-2-ylmethyl)amino]hexanoate?
The canonical SMILES for methyl 6-[bis(pyridin-2-ylmethyl)amino]hexanoate is COC(=O)CCCCCN(Cc1ccccn1)Cc1ccccn1.
What is the InChIKey of methyl 6-[bis(pyridin-2-ylmethyl)amino]hexanoate?
The InChIKey is FQFJZLLXALCPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-24-19(23)11-3-2-8-14-22(15-17-9-4-6-12-20-17)16-18-10-5-7-13-21-18/h4-7,9-10,12-13H,2-3,8,11,14-16H2,1H3.
What are the key properties of methyl 6-[bis(pyridin-2-ylmethyl)amino]hexanoate?
methyl 6-[bis(pyridin-2-ylmethyl)amino]hexanoate has a molecular weight of 327.43 g/mol, XLogP of 3.21, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[bis(pyridin-2-ylmethyl)amino]hexanoate is sourced from PubChem (CID 138976785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).