4-[[(1R,3S)-5-fluoro-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide

C19H22FN3O — CID 58146768

IUPAC4-[[(1R,3S)-5-fluoro-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide
SMILESNC(=O)c1cnc2c(c1NC1[C@@H]3CC4C[C@H]1CC(F)(C4)C3)C=CC2
InChIInChI=1S/C19H22FN3O/c20-19-6-10-4-11(7-19)16(12(5-10)8-19)23-17-13-2-1-3-15(13)22-9-14(17)18(21)24/h1-2,9-12,16H,3-8H2,(H2,21,24)(H,22,23)/t10?,11-,12+,16?,19?
InChIKeyWNVSUBKBTYRUTH-ZKZQOMKASA-N
MW327.40 g/mol
LogP3.08
Rot. Bonds3

About 4-[[(1R,3S)-5-fluoro-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide

4-[[(1R,3S)-5-fluoro-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 58146768) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is 4-[[(1R,3S)-5-fluoro-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[(1R,3S)-5-fluoro-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide
PubChem CID58146768
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name4-[[(1R,3S)-5-fluoro-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide
SMILESNC(=O)c1cnc2c(c1NC1[C@@H]3CC4C[C@H]1CC(F)(C4)C3)C=CC2
InChIInChI=1S/C19H22FN3O/c20-19-6-10-4-11(7-19)16(12(5-10)8-19)23-17-13-2-1-3-15(13)22-9-14(17)18(21)24/h1-2,9-12,16H,3-8H2,(H2,21,24)(H,22,23)/t10?,11-,12+,16?,19?
InChIKeyWNVSUBKBTYRUTH-ZKZQOMKASA-N
XLogP3.08
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[(1R,3S)-5-fluoro-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,3S)-5-fluoro-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of 4-[[(1R,3S)-5-fluoro-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide (CID 58146768) is 4-[[(1R,3S)-5-fluoro-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for 4-[[(1R,3S)-5-fluoro-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for 4-[[(1R,3S)-5-fluoro-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide is NC(=O)c1cnc2c(c1NC1[C@@H]3CC4C[C@H]1CC(F)(C4)C3)C=CC2.
What is the InChIKey of 4-[[(1R,3S)-5-fluoro-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide?
The InChIKey is WNVSUBKBTYRUTH-ZKZQOMKASA-N. The full InChI is InChI=1S/C19H22FN3O/c20-19-6-10-4-11(7-19)16(12(5-10)8-19)23-17-13-2-1-3-15(13)22-9-14(17)18(21)24/h1-2,9-12,16H,3-8H2,(H2,21,24)(H,22,23)/t10?,11-,12+,16?,19?.
What are the key properties of 4-[[(1R,3S)-5-fluoro-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide?
4-[[(1R,3S)-5-fluoro-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 327.40 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,3S)-5-fluoro-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 58146768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).