2-[5-carbamoyl-9-(pyridin-3-ylmethyl)carbazol-4-yl]-2-hydroxyacetic acid

C21H17N3O4 — CID 141226866

IUPAC2-[5-carbamoyl-9-(pyridin-3-ylmethyl)carbazol-4-yl]-2-hydroxyacetic acid
SMILESNC(=O)c1cccc2c1c1c(C(O)C(=O)O)cccc1n2Cc1cccnc1
InChIInChI=1S/C21H17N3O4/c22-20(26)14-6-2-8-16-18(14)17-13(19(25)21(27)28)5-1-7-15(17)24(16)11-12-4-3-9-23-10-12/h1-10,19,25H,11H2,(H2,22,26)(H,27,28)
InChIKeyFWDOTROAJPGHAK-UHFFFAOYSA-N
MW375.38 g/mol
LogP2.45
Rot. Bonds5

About 2-[5-carbamoyl-9-(pyridin-3-ylmethyl)carbazol-4-yl]-2-hydroxyacetic acid

2-[5-carbamoyl-9-(pyridin-3-ylmethyl)carbazol-4-yl]-2-hydroxyacetic acid (PubChem CID 141226866) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is 2-[5-carbamoyl-9-(pyridin-3-ylmethyl)carbazol-4-yl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[5-carbamoyl-9-(pyridin-3-ylmethyl)carbazol-4-yl]-2-hydroxyacetic acid
PubChem CID141226866
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC Name2-[5-carbamoyl-9-(pyridin-3-ylmethyl)carbazol-4-yl]-2-hydroxyacetic acid
SMILESNC(=O)c1cccc2c1c1c(C(O)C(=O)O)cccc1n2Cc1cccnc1
InChIInChI=1S/C21H17N3O4/c22-20(26)14-6-2-8-16-18(14)17-13(19(25)21(27)28)5-1-7-15(17)24(16)11-12-4-3-9-23-10-12/h1-10,19,25H,11H2,(H2,22,26)(H,27,28)
InChIKeyFWDOTROAJPGHAK-UHFFFAOYSA-N
XLogP2.45
TPSA118.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[5-carbamoyl-9-(pyridin-3-ylmethyl)carbazol-4-yl]-2-hydroxyacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[9-benzyl-5-carbamoyl-2-(4-chlorophenyl)carbazol-4-yl]-2-hydroxyacetic acid
CID 141226865
2-[9-benzyl-5-carbamoyl-2-(propoxymethyl)carbazol-4-yl]-2-hydroxyacetic acid
CID 141226844
2-[5-carbamoyl-9-[(3-fluorophenyl)methyl]carbazol-4-yl]-2-oxoacetic acid
CID 54135436
2-oxo-1-(pyridin-3-ylmethyl)quinoline-3-carboxamide
CID 150776765
9-benzyl-5-hydroxy-7-methylcarbazole-4-carboxamide
CID 22739371
7-ethyl-9-(pyridin-4-ylmethyl)carbazole-4-carboxamide
CID 174414362
4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)quinoline-3-carboxamide
CID 135563908
5-hydroxy-9-(pyridin-2-ylmethyl)carbazole-4-carboxamide
CID 22740539
ethyl 2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetate
CID 10135735
9-[(3-bromophenyl)methyl]carbazole-4-carboxamide
CID 174401032
2-[5-carbamoyl-9-[(3-iodophenyl)methyl]carbazol-4-yl]oxyacetic acid
CID 10207176
2-[[2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetyl]amino]acetic acid
CID 10137599

Frequently Asked Questions

What is the IUPAC name of 2-[5-carbamoyl-9-(pyridin-3-ylmethyl)carbazol-4-yl]-2-hydroxyacetic acid?
The IUPAC name of 2-[5-carbamoyl-9-(pyridin-3-ylmethyl)carbazol-4-yl]-2-hydroxyacetic acid (CID 141226866) is 2-[5-carbamoyl-9-(pyridin-3-ylmethyl)carbazol-4-yl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[5-carbamoyl-9-(pyridin-3-ylmethyl)carbazol-4-yl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[5-carbamoyl-9-(pyridin-3-ylmethyl)carbazol-4-yl]-2-hydroxyacetic acid is NC(=O)c1cccc2c1c1c(C(O)C(=O)O)cccc1n2Cc1cccnc1.
What is the InChIKey of 2-[5-carbamoyl-9-(pyridin-3-ylmethyl)carbazol-4-yl]-2-hydroxyacetic acid?
The InChIKey is FWDOTROAJPGHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c22-20(26)14-6-2-8-16-18(14)17-13(19(25)21(27)28)5-1-7-15(17)24(16)11-12-4-3-9-23-10-12/h1-10,19,25H,11H2,(H2,22,26)(H,27,28).
What are the key properties of 2-[5-carbamoyl-9-(pyridin-3-ylmethyl)carbazol-4-yl]-2-hydroxyacetic acid?
2-[5-carbamoyl-9-(pyridin-3-ylmethyl)carbazol-4-yl]-2-hydroxyacetic acid has a molecular weight of 375.38 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-carbamoyl-9-(pyridin-3-ylmethyl)carbazol-4-yl]-2-hydroxyacetic acid is sourced from PubChem (CID 141226866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).