ethyl 3-[[[6-[[[6-(ethoxymethyl)pyridine-2-carbonyl]amino]methyl]pyridine-2-carbonyl]amino]methyl]pyridine-2-carboxylate

C25H27N5O5 — CID 91557627

IUPACethyl 3-[[[6-[[[6-(ethoxymethyl)pyridine-2-carbonyl]amino]methyl]pyridine-2-carbonyl]amino]methyl]pyridine-2-carboxylate
SMILESCCOCc1cccc(C(=O)NCc2cccc(C(=O)NCc3cccnc3C(=O)OCC)n2)n1
InChIInChI=1S/C25H27N5O5/c1-3-34-16-19-10-6-12-21(30-19)24(32)28-15-18-9-5-11-20(29-18)23(31)27-14-17-8-7-13-26-22(17)25(33)35-4-2/h5-13H,3-4,14-16H2,1-2H3,(H,27,31)(H,28,32)
InChIKeySJYXEQABCBLBQA-UHFFFAOYSA-N
MW477.52 g/mol
LogP2.44
Rot. Bonds11

About ethyl 3-[[[6-[[[6-(ethoxymethyl)pyridine-2-carbonyl]amino]methyl]pyridine-2-carbonyl]amino]methyl]pyridine-2-carboxylate

ethyl 3-[[[6-[[[6-(ethoxymethyl)pyridine-2-carbonyl]amino]methyl]pyridine-2-carbonyl]amino]methyl]pyridine-2-carboxylate (PubChem CID 91557627) has the molecular formula C25H27N5O5 and a molecular weight of 477.52 g/mol. Its IUPAC name is ethyl 3-[[[6-[[[6-(ethoxymethyl)pyridine-2-carbonyl]amino]methyl]pyridine-2-carbonyl]amino]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[[6-[[[6-(ethoxymethyl)pyridine-2-carbonyl]amino]methyl]pyridine-2-carbonyl]amino]methyl]pyridine-2-carboxylate
PubChem CID91557627
Molecular FormulaC25H27N5O5
Molecular Weight477.52 g/mol
Exact Mass477.20
IUPAC Nameethyl 3-[[[6-[[[6-(ethoxymethyl)pyridine-2-carbonyl]amino]methyl]pyridine-2-carbonyl]amino]methyl]pyridine-2-carboxylate
SMILESCCOCc1cccc(C(=O)NCc2cccc(C(=O)NCc3cccnc3C(=O)OCC)n2)n1
InChIInChI=1S/C25H27N5O5/c1-3-34-16-19-10-6-12-21(30-19)24(32)28-15-18-9-5-11-20(29-18)23(31)27-14-17-8-7-13-26-22(17)25(33)35-4-2/h5-13H,3-4,14-16H2,1-2H3,(H,27,31)(H,28,32)
InChIKeySJYXEQABCBLBQA-UHFFFAOYSA-N
XLogP2.44
TPSA132.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 3-[[[6-[[[6-(ethoxymethyl)pyridine-2-carbonyl]amino]methyl]pyridine-2-carbonyl]amino]methyl]pyridine-2-carboxylate with MolForge

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Related Compounds

Kdm5-C70
CID 90094283
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CID 121595845
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CID 1088687
(2-Benzamido-2-oxoethyl) pyridine-2-carboxylate
CID 7477399
Methyl 5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]pyridine-2-carboxylate
CID 146476164
Ethyl 3-[(3-{[2-(ethoxycarbonyl)-3-pyridinyl]amino}-3-oxopropanoyl)amino]-2-pyridinecarboxylate
CID 584972
methyl N-[(3R,4S,5S)-3-amino-1-[3-[[6-[4-(ethoxymethyl)-2,6-difluorophenyl]-5-fluoropyridine-2-carbonyl]amino]-4-pyridinyl]-5-methylpiperidin-4-yl]carbamate
CID 91937654
Pyridine-2-carboxylic acid benzylcarbamoyl-methyl ester
CID 2351947
Methyl 6-[(quinolin-3-ylamino)carbonyl]pyridine-2-carboxylate
CID 3240298
[2-[(6-Amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-2-oxoethyl] pyridine-2-carboxylate
CID 24687195
benzyl (2S)-2-(isoquinoline-3-carbonylamino)-4-methylpentanoate
CID 52952822
benzyl (2S)-2-(isoquinoline-3-carbonylamino)propanoate
CID 53230829

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[[6-[[[6-(ethoxymethyl)pyridine-2-carbonyl]amino]methyl]pyridine-2-carbonyl]amino]methyl]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-[[[6-[[[6-(ethoxymethyl)pyridine-2-carbonyl]amino]methyl]pyridine-2-carbonyl]amino]methyl]pyridine-2-carboxylate (CID 91557627) is ethyl 3-[[[6-[[[6-(ethoxymethyl)pyridine-2-carbonyl]amino]methyl]pyridine-2-carbonyl]amino]methyl]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-[[[6-[[[6-(ethoxymethyl)pyridine-2-carbonyl]amino]methyl]pyridine-2-carbonyl]amino]methyl]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-[[[6-[[[6-(ethoxymethyl)pyridine-2-carbonyl]amino]methyl]pyridine-2-carbonyl]amino]methyl]pyridine-2-carboxylate is CCOCc1cccc(C(=O)NCc2cccc(C(=O)NCc3cccnc3C(=O)OCC)n2)n1.
What is the InChIKey of ethyl 3-[[[6-[[[6-(ethoxymethyl)pyridine-2-carbonyl]amino]methyl]pyridine-2-carbonyl]amino]methyl]pyridine-2-carboxylate?
The InChIKey is SJYXEQABCBLBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O5/c1-3-34-16-19-10-6-12-21(30-19)24(32)28-15-18-9-5-11-20(29-18)23(31)27-14-17-8-7-13-26-22(17)25(33)35-4-2/h5-13H,3-4,14-16H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of ethyl 3-[[[6-[[[6-(ethoxymethyl)pyridine-2-carbonyl]amino]methyl]pyridine-2-carbonyl]amino]methyl]pyridine-2-carboxylate?
ethyl 3-[[[6-[[[6-(ethoxymethyl)pyridine-2-carbonyl]amino]methyl]pyridine-2-carbonyl]amino]methyl]pyridine-2-carboxylate has a molecular weight of 477.52 g/mol, XLogP of 2.44, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[[6-[[[6-(ethoxymethyl)pyridine-2-carbonyl]amino]methyl]pyridine-2-carbonyl]amino]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 91557627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).