methyl 2-[[5-[3-(dimethylamino)propylamino]pyridine-2-carbonyl]amino]benzoate

C19H24N4O3 — CID 109186207

IUPACmethyl 2-[[5-[3-(dimethylamino)propylamino]pyridine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc(NCCCN(C)C)cn1
InChIInChI=1S/C19H24N4O3/c1-23(2)12-6-11-20-14-9-10-17(21-13-14)18(24)22-16-8-5-4-7-15(16)19(25)26-3/h4-5,7-10,13,20H,6,11-12H2,1-3H3,(H,22,24)
InChIKeyRQYGLGICMHXCAM-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.48
Rot. Bonds8

About methyl 2-[[5-[3-(dimethylamino)propylamino]pyridine-2-carbonyl]amino]benzoate

methyl 2-[[5-[3-(dimethylamino)propylamino]pyridine-2-carbonyl]amino]benzoate (PubChem CID 109186207) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is methyl 2-[[5-[3-(dimethylamino)propylamino]pyridine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[5-[3-(dimethylamino)propylamino]pyridine-2-carbonyl]amino]benzoate
PubChem CID109186207
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Namemethyl 2-[[5-[3-(dimethylamino)propylamino]pyridine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc(NCCCN(C)C)cn1
InChIInChI=1S/C19H24N4O3/c1-23(2)12-6-11-20-14-9-10-17(21-13-14)18(24)22-16-8-5-4-7-15(16)19(25)26-3/h4-5,7-10,13,20H,6,11-12H2,1-3H3,(H,22,24)
InChIKeyRQYGLGICMHXCAM-UHFFFAOYSA-N
XLogP2.48
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[5-(butylamino)pyridine-2-carbonyl]amino]benzoate
CID 109180957
methyl 2-[[5-[2-(dimethylamino)ethylamino]pyrazine-2-carbonyl]amino]benzoate
CID 109277408
methyl 2-[[4-[2-(dimethylamino)ethylamino]pyridine-2-carbonyl]amino]benzoate
CID 109207394
methyl 2-[[2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109325521
methyl 2-[[5-(2-methoxyanilino)pyridine-2-carbonyl]amino]benzoate
CID 109199740
ethyl 2-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate
CID 109195914
ethyl 2-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]benzoate
CID 109184186
N-(4-bromophenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109186187
N-(5-chloro-2-methylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109186180
N-(2-tert-butylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109185554
5-[3-(dimethylamino)propylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109186106
methyl 2-[[5-(butylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109272677

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-[3-(dimethylamino)propylamino]pyridine-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[5-[3-(dimethylamino)propylamino]pyridine-2-carbonyl]amino]benzoate (CID 109186207) is methyl 2-[[5-[3-(dimethylamino)propylamino]pyridine-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[5-[3-(dimethylamino)propylamino]pyridine-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[5-[3-(dimethylamino)propylamino]pyridine-2-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1ccc(NCCCN(C)C)cn1.
What is the InChIKey of methyl 2-[[5-[3-(dimethylamino)propylamino]pyridine-2-carbonyl]amino]benzoate?
The InChIKey is RQYGLGICMHXCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-23(2)12-6-11-20-14-9-10-17(21-13-14)18(24)22-16-8-5-4-7-15(16)19(25)26-3/h4-5,7-10,13,20H,6,11-12H2,1-3H3,(H,22,24).
What are the key properties of methyl 2-[[5-[3-(dimethylamino)propylamino]pyridine-2-carbonyl]amino]benzoate?
methyl 2-[[5-[3-(dimethylamino)propylamino]pyridine-2-carbonyl]amino]benzoate has a molecular weight of 356.43 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-[3-(dimethylamino)propylamino]pyridine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109186207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).