N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-piperazin-1-ylfuro[2,3-c]pyridine-5-carboxamide

C19H25N5O2 — CID 66815150

IUPACN-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-piperazin-1-ylfuro[2,3-c]pyridine-5-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2cc(N3CCNCC3)oc2cn1
InChIInChI=1S/C19H25N5O2/c25-19(22-15-7-13-1-4-23(11-13)12-15)16-8-14-9-18(26-17(14)10-21-16)24-5-2-20-3-6-24/h8-10,13,15,20H,1-7,11-12H2,(H,22,25)/t13-,15-/m1/s1
InChIKeyGQXIVHGZPBIQGG-UKRRQHHQSA-N
MW355.44 g/mol
LogP1.06
Rot. Bonds3

About N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-piperazin-1-ylfuro[2,3-c]pyridine-5-carboxamide

N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-piperazin-1-ylfuro[2,3-c]pyridine-5-carboxamide (PubChem CID 66815150) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-piperazin-1-ylfuro[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-piperazin-1-ylfuro[2,3-c]pyridine-5-carboxamide
PubChem CID66815150
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-piperazin-1-ylfuro[2,3-c]pyridine-5-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2cc(N3CCNCC3)oc2cn1
InChIInChI=1S/C19H25N5O2/c25-19(22-15-7-13-1-4-23(11-13)12-15)16-8-14-9-18(26-17(14)10-21-16)24-5-2-20-3-6-24/h8-10,13,15,20H,1-7,11-12H2,(H,22,25)/t13-,15-/m1/s1
InChIKeyGQXIVHGZPBIQGG-UKRRQHHQSA-N
XLogP1.06
TPSA73.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-piperazin-1-ylfuro[2,3-c]pyridine-5-carboxamide?
The IUPAC name of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-piperazin-1-ylfuro[2,3-c]pyridine-5-carboxamide (CID 66815150) is N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-piperazin-1-ylfuro[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-piperazin-1-ylfuro[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-piperazin-1-ylfuro[2,3-c]pyridine-5-carboxamide is O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2cc(N3CCNCC3)oc2cn1.
What is the InChIKey of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-piperazin-1-ylfuro[2,3-c]pyridine-5-carboxamide?
The InChIKey is GQXIVHGZPBIQGG-UKRRQHHQSA-N. The full InChI is InChI=1S/C19H25N5O2/c25-19(22-15-7-13-1-4-23(11-13)12-15)16-8-14-9-18(26-17(14)10-21-16)24-5-2-20-3-6-24/h8-10,13,15,20H,1-7,11-12H2,(H,22,25)/t13-,15-/m1/s1.
What are the key properties of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-piperazin-1-ylfuro[2,3-c]pyridine-5-carboxamide?
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-piperazin-1-ylfuro[2,3-c]pyridine-5-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-piperazin-1-ylfuro[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 66815150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).