ethyl 3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoylamino]naphthalene-2-carboxylate

C22H20N4O3 — CID 100736274

IUPACethyl 3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoylamino]naphthalene-2-carboxylate
SMILESCCOC(=O)c1cc2ccccc2cc1NC(=O)CCc1nc2ncccc2[nH]1
InChIInChI=1S/C22H20N4O3/c1-2-29-22(28)16-12-14-6-3-4-7-15(14)13-18(16)25-20(27)10-9-19-24-17-8-5-11-23-21(17)26-19/h3-8,11-13H,2,9-10H2,1H3,(H,25,27)(H,23,24,26)
InChIKeyFJNDAAUYRJKWSQ-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.86
Rot. Bonds6

About ethyl 3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoylamino]naphthalene-2-carboxylate

ethyl 3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoylamino]naphthalene-2-carboxylate (PubChem CID 100736274) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is ethyl 3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoylamino]naphthalene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoylamino]naphthalene-2-carboxylate
PubChem CID100736274
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Nameethyl 3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoylamino]naphthalene-2-carboxylate
SMILESCCOC(=O)c1cc2ccccc2cc1NC(=O)CCc1nc2ncccc2[nH]1
InChIInChI=1S/C22H20N4O3/c1-2-29-22(28)16-12-14-6-3-4-7-15(14)13-18(16)25-20(27)10-9-19-24-17-8-5-11-23-21(17)26-19/h3-8,11-13H,2,9-10H2,1H3,(H,25,27)(H,23,24,26)
InChIKeyFJNDAAUYRJKWSQ-UHFFFAOYSA-N
XLogP3.86
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoylamino]naphthalene-2-carboxylate?
The IUPAC name of ethyl 3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoylamino]naphthalene-2-carboxylate (CID 100736274) is ethyl 3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoylamino]naphthalene-2-carboxylate.
What is the SMILES notation for ethyl 3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoylamino]naphthalene-2-carboxylate?
The canonical SMILES for ethyl 3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoylamino]naphthalene-2-carboxylate is CCOC(=O)c1cc2ccccc2cc1NC(=O)CCc1nc2ncccc2[nH]1.
What is the InChIKey of ethyl 3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoylamino]naphthalene-2-carboxylate?
The InChIKey is FJNDAAUYRJKWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-2-29-22(28)16-12-14-6-3-4-7-15(14)13-18(16)25-20(27)10-9-19-24-17-8-5-11-23-21(17)26-19/h3-8,11-13H,2,9-10H2,1H3,(H,25,27)(H,23,24,26).
What are the key properties of ethyl 3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoylamino]naphthalene-2-carboxylate?
ethyl 3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoylamino]naphthalene-2-carboxylate has a molecular weight of 388.43 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoylamino]naphthalene-2-carboxylate is sourced from PubChem (CID 100736274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).