5-cyclopropyl-2-[(9-ethyl-5,6,7,8-tetrahydrocarbazol-3-yl)amino]pyridine-3-carboxylic acid

C23H25N3O2 — CID 90152924

IUPAC5-cyclopropyl-2-[(9-ethyl-5,6,7,8-tetrahydrocarbazol-3-yl)amino]pyridine-3-carboxylic acid
SMILESCCn1c2c(c3cc(Nc4ncc(C5CC5)cc4C(=O)O)ccc31)CCCC2
InChIInChI=1S/C23H25N3O2/c1-2-26-20-6-4-3-5-17(20)18-12-16(9-10-21(18)26)25-22-19(23(27)28)11-15(13-24-22)14-7-8-14/h9-14H,2-8H2,1H3,(H,24,25)(H,27,28)
InChIKeyUPNZSBUSRBHVEF-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.25
Rot. Bonds5

About 5-cyclopropyl-2-[(9-ethyl-5,6,7,8-tetrahydrocarbazol-3-yl)amino]pyridine-3-carboxylic acid

5-cyclopropyl-2-[(9-ethyl-5,6,7,8-tetrahydrocarbazol-3-yl)amino]pyridine-3-carboxylic acid (PubChem CID 90152924) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 5-cyclopropyl-2-[(9-ethyl-5,6,7,8-tetrahydrocarbazol-3-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-[(9-ethyl-5,6,7,8-tetrahydrocarbazol-3-yl)amino]pyridine-3-carboxylic acid
PubChem CID90152924
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name5-cyclopropyl-2-[(9-ethyl-5,6,7,8-tetrahydrocarbazol-3-yl)amino]pyridine-3-carboxylic acid
SMILESCCn1c2c(c3cc(Nc4ncc(C5CC5)cc4C(=O)O)ccc31)CCCC2
InChIInChI=1S/C23H25N3O2/c1-2-26-20-6-4-3-5-17(20)18-12-16(9-10-21(18)26)25-22-19(23(27)28)11-15(13-24-22)14-7-8-14/h9-14H,2-8H2,1H3,(H,24,25)(H,27,28)
InChIKeyUPNZSBUSRBHVEF-UHFFFAOYSA-N
XLogP5.25
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[(9-ethyl-5,6,7,8-tetrahydrocarbazol-3-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-2-[(9-ethyl-5,6,7,8-tetrahydrocarbazol-3-yl)amino]pyridine-3-carboxylic acid (CID 90152924) is 5-cyclopropyl-2-[(9-ethyl-5,6,7,8-tetrahydrocarbazol-3-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-2-[(9-ethyl-5,6,7,8-tetrahydrocarbazol-3-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-2-[(9-ethyl-5,6,7,8-tetrahydrocarbazol-3-yl)amino]pyridine-3-carboxylic acid is CCn1c2c(c3cc(Nc4ncc(C5CC5)cc4C(=O)O)ccc31)CCCC2.
What is the InChIKey of 5-cyclopropyl-2-[(9-ethyl-5,6,7,8-tetrahydrocarbazol-3-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is UPNZSBUSRBHVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-2-26-20-6-4-3-5-17(20)18-12-16(9-10-21(18)26)25-22-19(23(27)28)11-15(13-24-22)14-7-8-14/h9-14H,2-8H2,1H3,(H,24,25)(H,27,28).
What are the key properties of 5-cyclopropyl-2-[(9-ethyl-5,6,7,8-tetrahydrocarbazol-3-yl)amino]pyridine-3-carboxylic acid?
5-cyclopropyl-2-[(9-ethyl-5,6,7,8-tetrahydrocarbazol-3-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 375.47 g/mol, XLogP of 5.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[(9-ethyl-5,6,7,8-tetrahydrocarbazol-3-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 90152924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).