N-(1-azabicyclo[2.2.2]octan-3-yl)phenazine-2-carboxamide

C20H20N4O — CID 12985341

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)phenazine-2-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1ccc2nc3ccccc3nc2c1
InChIInChI=1S/C20H20N4O/c25-20(23-19-12-24-9-7-13(19)8-10-24)14-5-6-17-18(11-14)22-16-4-2-1-3-15(16)21-17/h1-6,11,13,19H,7-10,12H2,(H,23,25)
InChIKeyKEXBIIHWTHZDNJ-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.61
Rot. Bonds2

About N-(1-azabicyclo[2.2.2]octan-3-yl)phenazine-2-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)phenazine-2-carboxamide (PubChem CID 12985341) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)phenazine-2-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)phenazine-2-carboxamide
PubChem CID12985341
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)phenazine-2-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1ccc2nc3ccccc3nc2c1
InChIInChI=1S/C20H20N4O/c25-20(23-19-12-24-9-7-13(19)8-10-24)14-5-6-17-18(11-14)22-16-4-2-1-3-15(16)21-17/h1-6,11,13,19H,7-10,12H2,(H,23,25)
InChIKeyKEXBIIHWTHZDNJ-UHFFFAOYSA-N
XLogP2.61
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride
CID 19766290
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methylquinoline-6-carboxamide
CID 58932940
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(125I)iodo(125I)benzamide
CID 11325679
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-methyl-1,3-benzoxazole-6-carboxamide
CID 23529176
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-benzothiophene-5-carboxamide
CID 23529193
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide
CID 59797488
N-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-benzothiazole-5-carboxamide;hydrochloride
CID 66636410
3-(aminomethyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18069977
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-5-(13C)carboxamide
CID 10107236
N-(1-azabicyclo[2.2.2]octan-3-yl)-8-chloronaphthalene-2-carboxamide
CID 22243458
4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbenzamide
CID 16787826
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-methylphenyl)benzamide
CID 91404239

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)phenazine-2-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)phenazine-2-carboxamide (CID 12985341) is N-(1-azabicyclo[2.2.2]octan-3-yl)phenazine-2-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)phenazine-2-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)phenazine-2-carboxamide is O=C(NC1CN2CCC1CC2)c1ccc2nc3ccccc3nc2c1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)phenazine-2-carboxamide?
The InChIKey is KEXBIIHWTHZDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c25-20(23-19-12-24-9-7-13(19)8-10-24)14-5-6-17-18(11-14)22-16-4-2-1-3-15(16)21-17/h1-6,11,13,19H,7-10,12H2,(H,23,25).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)phenazine-2-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)phenazine-2-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)phenazine-2-carboxamide is sourced from PubChem (CID 12985341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).