ethyl 4-[[6-[2-(dimethylamino)ethylamino]pyridine-3-carbonyl]amino]benzoate

C19H24N4O3 — CID 109153832

IUPACethyl 4-[[6-[2-(dimethylamino)ethylamino]pyridine-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc(NCCN(C)C)nc2)cc1
InChIInChI=1S/C19H24N4O3/c1-4-26-19(25)14-5-8-16(9-6-14)22-18(24)15-7-10-17(21-13-15)20-11-12-23(2)3/h5-10,13H,4,11-12H2,1-3H3,(H,20,21)(H,22,24)
InChIKeyFRVJAOFKFOFPAI-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.48
Rot. Bonds8

About ethyl 4-[[6-[2-(dimethylamino)ethylamino]pyridine-3-carbonyl]amino]benzoate

ethyl 4-[[6-[2-(dimethylamino)ethylamino]pyridine-3-carbonyl]amino]benzoate (PubChem CID 109153832) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is ethyl 4-[[6-[2-(dimethylamino)ethylamino]pyridine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[6-[2-(dimethylamino)ethylamino]pyridine-3-carbonyl]amino]benzoate
PubChem CID109153832
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Nameethyl 4-[[6-[2-(dimethylamino)ethylamino]pyridine-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc(NCCN(C)C)nc2)cc1
InChIInChI=1S/C19H24N4O3/c1-4-26-19(25)14-5-8-16(9-6-14)22-18(24)15-7-10-17(21-13-15)20-11-12-23(2)3/h5-10,13H,4,11-12H2,1-3H3,(H,20,21)(H,22,24)
InChIKeyFRVJAOFKFOFPAI-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

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Related Compounds

ethyl 4-[[6-(benzylamino)pyridine-3-carbonyl]amino]benzoate
CID 109155551
ethyl N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]carbamate
CID 113010767
4-tert-butyl-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide
CID 113010730
ethyl 4-[[6-[(4-fluorophenyl)methylamino]pyridine-3-carbonyl]amino]benzoate
CID 109156667
ethyl 4-[[6-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate
CID 109152217
ethyl 4-[[6-(4-chloroanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163491
ethyl 4-[[2-(diethylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109262560
ethyl 4-[[3-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate
CID 109053255
ethyl 6-[[3-(diethylamino)-3-oxopropyl]amino]pyridine-3-carboxylate
CID 60926074
ethyl 6-[(3-amino-3-oxopropyl)amino]pyridine-3-carboxylate
CID 43532828
methyl 4-[[6-(3-methoxypropylamino)pyridine-3-carbonyl]amino]benzoate
CID 109153220
ethyl 4-[[5-[2-(dimethylamino)ethylcarbamoyl]pyrazin-2-yl]amino]benzoate
CID 109277253

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[6-[2-(dimethylamino)ethylamino]pyridine-3-carbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[6-[2-(dimethylamino)ethylamino]pyridine-3-carbonyl]amino]benzoate (CID 109153832) is ethyl 4-[[6-[2-(dimethylamino)ethylamino]pyridine-3-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[6-[2-(dimethylamino)ethylamino]pyridine-3-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[6-[2-(dimethylamino)ethylamino]pyridine-3-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2ccc(NCCN(C)C)nc2)cc1.
What is the InChIKey of ethyl 4-[[6-[2-(dimethylamino)ethylamino]pyridine-3-carbonyl]amino]benzoate?
The InChIKey is FRVJAOFKFOFPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-4-26-19(25)14-5-8-16(9-6-14)22-18(24)15-7-10-17(21-13-15)20-11-12-23(2)3/h5-10,13H,4,11-12H2,1-3H3,(H,20,21)(H,22,24).
What are the key properties of ethyl 4-[[6-[2-(dimethylamino)ethylamino]pyridine-3-carbonyl]amino]benzoate?
ethyl 4-[[6-[2-(dimethylamino)ethylamino]pyridine-3-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 ethyl 4-[[6-[2-(dimethylamino)ethylamino]pyridine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 109153832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).