methyl 2-[5-carbamoyl-9-(pyridin-2-ylmethyl)carbazol-4-yl]oxyacetate

C22H19N3O4 — CID 86756280

IUPACmethyl 2-[5-carbamoyl-9-(pyridin-2-ylmethyl)carbazol-4-yl]oxyacetate
SMILESCOC(=O)COc1cccc2c1c1c(C(N)=O)cccc1n2Cc1ccccn1
InChIInChI=1S/C22H19N3O4/c1-28-19(26)13-29-18-10-5-9-17-21(18)20-15(22(23)27)7-4-8-16(20)25(17)12-14-6-2-3-11-24-14/h2-11H,12-13H2,1H3,(H2,23,27)
InChIKeyQFOIAPZFZSIQQU-UHFFFAOYSA-N
MW389.41 g/mol
LogP2.89
Rot. Bonds6

About methyl 2-[5-carbamoyl-9-(pyridin-2-ylmethyl)carbazol-4-yl]oxyacetate

methyl 2-[5-carbamoyl-9-(pyridin-2-ylmethyl)carbazol-4-yl]oxyacetate (PubChem CID 86756280) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is methyl 2-[5-carbamoyl-9-(pyridin-2-ylmethyl)carbazol-4-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[5-carbamoyl-9-(pyridin-2-ylmethyl)carbazol-4-yl]oxyacetate
PubChem CID86756280
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Namemethyl 2-[5-carbamoyl-9-(pyridin-2-ylmethyl)carbazol-4-yl]oxyacetate
SMILESCOC(=O)COc1cccc2c1c1c(C(N)=O)cccc1n2Cc1ccccn1
InChIInChI=1S/C22H19N3O4/c1-28-19(26)13-29-18-10-5-9-17-21(18)20-15(22(23)27)7-4-8-16(20)25(17)12-14-6-2-3-11-24-14/h2-11H,12-13H2,1H3,(H2,23,27)
InChIKeyQFOIAPZFZSIQQU-UHFFFAOYSA-N
XLogP2.89
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-hydroxy-9-(pyridin-2-ylmethyl)carbazole-4-carboxamide
CID 22740539
methyl 2-[5-carbamoyl-9-[(2,3-difluorophenyl)methyl]carbazol-4-yl]oxyacetate
CID 86756275
ethyl 2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetate
CID 10135735
methyl 2-(2-carbamoylphenoxy)acetate
CID 2772027
sodium 2-[5-carbamoyl-9-[(3,5-dimethylphenyl)methyl]carbazol-4-yl]oxyacetate
CID 21304071
2-[[2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetyl]amino]acetic acid
CID 10137599
ethane;5-ethoxy-9-ethylcarbazole-4-carboxamide
CID 91519432
2-[5-carbamoyl-9-[(3-iodophenyl)methyl]carbazol-4-yl]oxyacetic acid
CID 10207176
2-[5-carbamoyl-9-(3-phenylpropyl)carbazol-4-yl]oxyacetic acid
CID 22740410
[5-carbamoyl-9-[(2-methylphenyl)methyl]carbazol-4-yl] 2-hydroxyacetate
CID 91121386
sodium 2-[5-carbamoyl-9-[(2,3-difluorophenyl)methyl]carbazol-4-yl]oxyacetate
CID 21304067
2-[5-carbamoyl-9-(cyclobutylmethyl)carbazol-4-yl]oxyacetic acid
CID 22741302

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-carbamoyl-9-(pyridin-2-ylmethyl)carbazol-4-yl]oxyacetate?
The IUPAC name of methyl 2-[5-carbamoyl-9-(pyridin-2-ylmethyl)carbazol-4-yl]oxyacetate (CID 86756280) is methyl 2-[5-carbamoyl-9-(pyridin-2-ylmethyl)carbazol-4-yl]oxyacetate.
What is the SMILES notation for methyl 2-[5-carbamoyl-9-(pyridin-2-ylmethyl)carbazol-4-yl]oxyacetate?
The canonical SMILES for methyl 2-[5-carbamoyl-9-(pyridin-2-ylmethyl)carbazol-4-yl]oxyacetate is COC(=O)COc1cccc2c1c1c(C(N)=O)cccc1n2Cc1ccccn1.
What is the InChIKey of methyl 2-[5-carbamoyl-9-(pyridin-2-ylmethyl)carbazol-4-yl]oxyacetate?
The InChIKey is QFOIAPZFZSIQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-28-19(26)13-29-18-10-5-9-17-21(18)20-15(22(23)27)7-4-8-16(20)25(17)12-14-6-2-3-11-24-14/h2-11H,12-13H2,1H3,(H2,23,27).
What are the key properties of methyl 2-[5-carbamoyl-9-(pyridin-2-ylmethyl)carbazol-4-yl]oxyacetate?
methyl 2-[5-carbamoyl-9-(pyridin-2-ylmethyl)carbazol-4-yl]oxyacetate has a molecular weight of 389.41 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-carbamoyl-9-(pyridin-2-ylmethyl)carbazol-4-yl]oxyacetate is sourced from PubChem (CID 86756280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).