4-[[(1S,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide

C18H24N4O — CID 58146937

IUPAC4-[[(1S,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide
SMILESCCN1[C@H]2CC[C@H]1CC(Nc1c(C(N)=O)cnc3c1C=CC3)C2
InChIInChI=1S/C18H24N4O/c1-2-22-12-6-7-13(22)9-11(8-12)21-17-14-4-3-5-16(14)20-10-15(17)18(19)23/h3-4,10-13H,2,5-9H2,1H3,(H2,19,23)(H,20,21)/t12-,13-/m0/s1
InChIKeyQVPQXIQXILEXEE-STQMWFEESA-N
MW312.42 g/mol
LogP2.18
Rot. Bonds4

About 4-[[(1S,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide

4-[[(1S,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 58146937) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 4-[[(1S,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[(1S,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide
PubChem CID58146937
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name4-[[(1S,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide
SMILESCCN1[C@H]2CC[C@H]1CC(Nc1c(C(N)=O)cnc3c1C=CC3)C2
InChIInChI=1S/C18H24N4O/c1-2-22-12-6-7-13(22)9-11(8-12)21-17-14-4-3-5-16(14)20-10-15(17)18(19)23/h3-4,10-13H,2,5-9H2,1H3,(H2,19,23)(H,20,21)/t12-,13-/m0/s1
InChIKeyQVPQXIQXILEXEE-STQMWFEESA-N
XLogP2.18
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1S,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of 4-[[(1S,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide (CID 58146937) is 4-[[(1S,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for 4-[[(1S,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for 4-[[(1S,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide is CCN1[C@H]2CC[C@H]1CC(Nc1c(C(N)=O)cnc3c1C=CC3)C2.
What is the InChIKey of 4-[[(1S,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide?
The InChIKey is QVPQXIQXILEXEE-STQMWFEESA-N. The full InChI is InChI=1S/C18H24N4O/c1-2-22-12-6-7-13(22)9-11(8-12)21-17-14-4-3-5-16(14)20-10-15(17)18(19)23/h3-4,10-13H,2,5-9H2,1H3,(H2,19,23)(H,20,21)/t12-,13-/m0/s1.
What are the key properties of 4-[[(1S,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide?
4-[[(1S,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 58146937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).