4-[[(1S,5S)-8-(3,3-dimethyl-2-oxobutyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide

C22H30N4O2 — CID 58146602

IUPAC4-[[(1S,5S)-8-(3,3-dimethyl-2-oxobutyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide
SMILESCC(C)(C)C(=O)CN1[C@H]2CC[C@H]1CC(Nc1c(C(N)=O)cnc3c1C=CC3)C2
InChIInChI=1S/C22H30N4O2/c1-22(2,3)19(27)12-26-14-7-8-15(26)10-13(9-14)25-20-16-5-4-6-18(16)24-11-17(20)21(23)28/h4-5,11,13-15H,6-10,12H2,1-3H3,(H2,23,28)(H,24,25)/t14-,15-/m0/s1
InChIKeyFSNCKFYKBHTLHD-GJZGRUSLSA-N
MW382.51 g/mol
LogP2.77
Rot. Bonds5

About 4-[[(1S,5S)-8-(3,3-dimethyl-2-oxobutyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide

4-[[(1S,5S)-8-(3,3-dimethyl-2-oxobutyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 58146602) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 4-[[(1S,5S)-8-(3,3-dimethyl-2-oxobutyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[(1S,5S)-8-(3,3-dimethyl-2-oxobutyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide
PubChem CID58146602
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name4-[[(1S,5S)-8-(3,3-dimethyl-2-oxobutyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide
SMILESCC(C)(C)C(=O)CN1[C@H]2CC[C@H]1CC(Nc1c(C(N)=O)cnc3c1C=CC3)C2
InChIInChI=1S/C22H30N4O2/c1-22(2,3)19(27)12-26-14-7-8-15(26)10-13(9-14)25-20-16-5-4-6-18(16)24-11-17(20)21(23)28/h4-5,11,13-15H,6-10,12H2,1-3H3,(H2,23,28)(H,24,25)/t14-,15-/m0/s1
InChIKeyFSNCKFYKBHTLHD-GJZGRUSLSA-N
XLogP2.77
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[(1S,5S)-8-(3,3-dimethyl-2-oxobutyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1S,5S)-8-(3,3-dimethyl-2-oxobutyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of 4-[[(1S,5S)-8-(3,3-dimethyl-2-oxobutyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide (CID 58146602) is 4-[[(1S,5S)-8-(3,3-dimethyl-2-oxobutyl)-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-(3,3-dimethyl-2-oxobutyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for 4-[[(1S,5S)-8-(3,3-dimethyl-2-oxobutyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide is CC(C)(C)C(=O)CN1[C@H]2CC[C@H]1CC(Nc1c(C(N)=O)cnc3c1C=CC3)C2.
What is the InChIKey of 4-[[(1S,5S)-8-(3,3-dimethyl-2-oxobutyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide?
The InChIKey is FSNCKFYKBHTLHD-GJZGRUSLSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-22(2,3)19(27)12-26-14-7-8-15(26)10-13(9-14)25-20-16-5-4-6-18(16)24-11-17(20)21(23)28/h4-5,11,13-15H,6-10,12H2,1-3H3,(H2,23,28)(H,24,25)/t14-,15-/m0/s1.
What are the key properties of 4-[[(1S,5S)-8-(3,3-dimethyl-2-oxobutyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide?
4-[[(1S,5S)-8-(3,3-dimethyl-2-oxobutyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S,5S)-8-(3,3-dimethyl-2-oxobutyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 58146602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).