N-[(3S,5S)-1-azabicyclo[3.2.1]octan-3-yl]-4-cyano-2H-chromene-7-carboxamide

C18H19N3O2 — CID 10236585

IUPACN-[(3S,5S)-1-azabicyclo[3.2.1]octan-3-yl]-4-cyano-2H-chromene-7-carboxamide
SMILESN#CC1=CCOc2cc(C(=O)N[C@H]3C[C@@H]4CCN(C4)C3)ccc21
InChIInChI=1S/C18H19N3O2/c19-9-14-4-6-23-17-8-13(1-2-16(14)17)18(22)20-15-7-12-3-5-21(10-12)11-15/h1-2,4,8,12,15H,3,5-7,10-11H2,(H,20,22)/t12-,15-/m0/s1
InChIKeyRQTZJAZXOGTCPW-WFASDCNBSA-N
MW309.37 g/mol
LogP1.81
Rot. Bonds2

About N-[(3S,5S)-1-azabicyclo[3.2.1]octan-3-yl]-4-cyano-2H-chromene-7-carboxamide

N-[(3S,5S)-1-azabicyclo[3.2.1]octan-3-yl]-4-cyano-2H-chromene-7-carboxamide (PubChem CID 10236585) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[(3S,5S)-1-azabicyclo[3.2.1]octan-3-yl]-4-cyano-2H-chromene-7-carboxamide.

Molecular Properties

Compound NameN-[(3S,5S)-1-azabicyclo[3.2.1]octan-3-yl]-4-cyano-2H-chromene-7-carboxamide
PubChem CID10236585
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[(3S,5S)-1-azabicyclo[3.2.1]octan-3-yl]-4-cyano-2H-chromene-7-carboxamide
SMILESN#CC1=CCOc2cc(C(=O)N[C@H]3C[C@@H]4CCN(C4)C3)ccc21
InChIInChI=1S/C18H19N3O2/c19-9-14-4-6-23-17-8-13(1-2-16(14)17)18(22)20-15-7-12-3-5-21(10-12)11-15/h1-2,4,8,12,15H,3,5-7,10-11H2,(H,20,22)/t12-,15-/m0/s1
InChIKeyRQTZJAZXOGTCPW-WFASDCNBSA-N
XLogP1.81
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,5S)-1-azabicyclo[3.2.1]octan-3-yl]-4-cyano-2H-chromene-7-carboxamide?
The IUPAC name of N-[(3S,5S)-1-azabicyclo[3.2.1]octan-3-yl]-4-cyano-2H-chromene-7-carboxamide (CID 10236585) is N-[(3S,5S)-1-azabicyclo[3.2.1]octan-3-yl]-4-cyano-2H-chromene-7-carboxamide.
What is the SMILES notation for N-[(3S,5S)-1-azabicyclo[3.2.1]octan-3-yl]-4-cyano-2H-chromene-7-carboxamide?
The canonical SMILES for N-[(3S,5S)-1-azabicyclo[3.2.1]octan-3-yl]-4-cyano-2H-chromene-7-carboxamide is N#CC1=CCOc2cc(C(=O)N[C@H]3C[C@@H]4CCN(C4)C3)ccc21.
What is the InChIKey of N-[(3S,5S)-1-azabicyclo[3.2.1]octan-3-yl]-4-cyano-2H-chromene-7-carboxamide?
The InChIKey is RQTZJAZXOGTCPW-WFASDCNBSA-N. The full InChI is InChI=1S/C18H19N3O2/c19-9-14-4-6-23-17-8-13(1-2-16(14)17)18(22)20-15-7-12-3-5-21(10-12)11-15/h1-2,4,8,12,15H,3,5-7,10-11H2,(H,20,22)/t12-,15-/m0/s1.
What are the key properties of N-[(3S,5S)-1-azabicyclo[3.2.1]octan-3-yl]-4-cyano-2H-chromene-7-carboxamide?
N-[(3S,5S)-1-azabicyclo[3.2.1]octan-3-yl]-4-cyano-2H-chromene-7-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S)-1-azabicyclo[3.2.1]octan-3-yl]-4-cyano-2H-chromene-7-carboxamide is sourced from PubChem (CID 10236585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).